AG00D8A4

500788-85-2 | Boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid

AG00D8A4

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CAS Number	500788-85-2
Catalog Number	AG00D8A4(AGN-PC-0OB683)
Chemical Name	Boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid
IUPAC Name	(3R)-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(9-13(17)18)10-7-5-6-8-12(10)20-4/h5-8,11H,9H2,1-4H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	HTVHHPNRENCUJY-LLVKDONJSA-N
MDL Number	MFCD03427936
Molecular Formula	C15H21NO5
Molecular Weight	295.3309
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)C1=CC=CC=C1OC
Synonyms	500788-85-2, (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-methoxyphenyl)propanoic acid, Boc-(R)-3-Amino-3-(2-methoxy-phenyl)-propionic acid, Boc-(R)-3-amino-3-(2-methoxyphenyl)propionic acid, Boc-D-?-Phe(2-Ome)-OH, PubChem24039, AC1MC5OD, CTK4J2092, DTXSID90375895, (3R)-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, BOC-D-BETA-PHE(2-OME)-OH, ZINC2585834, MFCD03427936, AB15198, CB-2960, AC-25427, ACM500788852, AJ-43597, AK114937, BBV-38259448, PS-12474, AX8117508, RT-011598, FT-0698483, ST24035411, Z5892, A-7927, Boc-(R)-3-Amino-3-(2-methoxyphenyl)-propionic acid, (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(2-methoxyphenyl)propanoic acid, (3R)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2-METHOXYPHENYL)PROPANOIC ACID, C15H21NO5, ACN-026326, CID2761757, BOC- -3-AMINO-3- -PROPIONICACID, Boc-(R)- 3-Amino-3-(2-methoxyphenyl)-propionic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-methoxyphenyl)propanoic acid, (3S)-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 499995-76-5,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	295.142g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.335g/mol
Monoisotopic Mass	295.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number