AG003UIY

109010-60-8 | (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate

AG003UIY

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CAS Number	109010-60-8
Catalog Number	AG003UIY(AGN-PC-0OZ2E7)
Chemical Name	(S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate
IUPAC Name	tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
InChI	InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
InChI Key	QTEDVVHLTMELTB-LBPRGKRZSA-N
MDL Number	MFCD03426719
Molecular Formula	C16H22N2O3
Molecular Weight	290.3575
SMILES	O=C(OC(C)(C)C)CN1C2=CC=CC=C2CC[C@H](N)C1=O
UNII	5WJ869A7AY
Synonyms	109010-60-8, (S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, S-ATBA, UNII-5WJ869A7AY, (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, Tert-butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-(3S)-benzazepine-1-acetate, 5WJ869A7AY, AN-668/40768843, MFCD03426719, (S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benazepine-1-acetic acid 1,1-dimethyl ethyl ester, 1,1-Dimethylethyl ((3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate, J-502511, tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate, tert-butyl 2-[(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate, 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, tert-Butyl (S)-2-(3-Amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)acetate, Benazepril Related Compound F, T-butyl,3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1acetate, 1,1-Dimethylethyl [(3S)-3-Amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate, (3S)-3-AMINO-1-(TERT-BUTYLCARBOXYMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE, AK-39975, PubChem16776, EC 700-294-7, AC1O46A4, SCHEMBL5698825, Jsp000740, CTK4A6290, DTXSID80148797, QTEDVVHLTMELTB-LBPRGKRZSA-N, ACN-S003839, ACT01801, BCP13482, CS-D0726, KS-00000C8A, AC-767, ANW-16003, CA-292, CA0163, ZINC53112900, AKOS015854177, AKOS015888693, DS-1653, ACM109010608, BC220263, BR-39975, CJ-20715, OR350442, SC-26632, AB0010989, AJ-112161, AX8017482, ST2408369, TC-104748, TL8000288, TR-002018, FT-0602887, A-3974, 010A608, (s)-3-Amino-2,3,4,5-Tetrahydro-2-Oxo-1H-1-, I06-1940, (3S)-2,3,4,5-Tetrahydro-2-oxo-3-amino-1H-1-benzazepine-1-acetic acid tert-butyl ester, (3S)-3-amino-1-t-butoxycarbonylmethyl-2,3,4,5-tetrahydro-1H-benzazepin-2-one, (7S-Amino-6-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-acetic acid tert-butyl ester, (S)-3-Amino-1-(t-butoxycarbonylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine, (S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetatic acid-1,1-dimethylethyl, (S)-neopentyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, 2-Methyl-2-propanyl [(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate, 3-(S)-(-)-Amino-1-tertbutyloxycarbonylmethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, 3-(S)-amino-1-tertbutyloxy carbonylmethyl-2,3,4,5-tetrahydro- 1H-1-benzazepin-2-one, T-BUTYL 3-(S)-AMINO-2,3,4,5-TETRAHYDRO-1H-[1]BENZEPINE-2-ONE-1-ACETATE, tert-butyl (3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate, tert-Butyl (3S)-3-amino-2,3,4,5-tetrahydro-1H-(1)-benzazepin-2-one-1-acetate, tert-butyl (3S)-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate, tert-butyl (3S)-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-benzazepine-1-acetate, tert-Butyl(S)-2-(3-Amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)acetate, Tert-butyl-(s)-(3-amino-2-oxo-2,3,4,5-tetrahydro benzo[b]azepin-1-yl)acetate, tertButyl (3S)-3-amino-2,3,4,5-tetrahydro-1H-(1)-benzazepin-2-one-1-acetate, (3S)-1H-1-Benzazepine-1-acetic Acid 3-Amino-2,3,4,5-tetrahydro-2-oxo-1,1-dimethylethyl Ester, (S)-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid 1,1-dimethyl ethyl ester, 1H-1-Benzazepine-1-aceticacid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, C16H22N2O3, CID6350624, CS-O-14883, (S)-(O-(N-BENZYLPROLYL)AMINO)(PHENYL)METHYLENEIMINOACETATE, tert-Butyl-(S)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) Acetate, tert-Butyl-(S)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) acetate 5g, TERT-BUTYL-(S)-(3-AMINO-2-OXO-2,3,4,5-TETRAHYDROBENZO[B]AZEPIN-1-YL)ACETATE, (S)-3-Amino-2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepine-1-acetaticacid-1,2-dimethylethylester,

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	290.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.363g/mol
Monoisotopic Mass	290.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number