AG001QYF

158851-30-0 | Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-

AG001QYF

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CAS Number	158851-30-0
Catalog Number	AG001QYF(AGN-PC-0O4JF7)
Chemical Name	Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChI Key	PYNDHEONPQYIAN-LURJTMIESA-N
MDL Number	MFCD22199978
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	C[C@H](NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	158851-30-0, Boc-L-beta-homoalanine, (S)-3-((tert-Butoxycarbonyl)amino)butanoic acid, Boc-beta-HoAla-OH, Boc-beta-Homoala-OH, MFCD00270345, (S)-N-Boc-3-aminobutyric acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-, (S)-3-(tert-Butoxycarbonylamino)butanoic acid, (3S)-3-(tert-butoxycarbonylamino)butanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, boc- -Homoalanine, Boc--Homoala-OH, Boc-L--homoalanine, Boc-beta-homoalanine, Boc-?-HoAla-OH, (S)-3-(tert-Butoxycarbonylamino)butyric acid, AC1NWJCT, PubChem12102, Boc-L-3-Abu-OH, Boc-L-I(2)-homoalanine, N-Boc-L-beta-homoalanine, Boc-L-3-Aminobutyric acid, SCHEMBL1372203, CHEMBL1222400, CTK3J4736, KS-00000IXK, (S)-3-(Boc-amino)butyric acid, DTXSID70420711, PYNDHEONPQYIAN-LURJTMIESA-N, (s)-3-(n-boc-amino)butyric acid, (3S)-3-(Boc-amino)butanoic acid, ZINC2562488, ANW-49023, CB-718, AKOS015836598, AKOS015908744, ACN-033786, AM84522, BL700-1, CS-W015456, RTR-006705, AJ-40763, AN-31079, AS-17622, BR-76659, SC-24257, AB0020233, Boc-beta-Homoala-OH, >=98.0% (TLC), TR-006705, FT-0659048, ST24026581, V1057, (3S)-3-(tert-butoxycarbonylamino)butyric acid, B27200, M-2194, (3S)-3-[(tert-butoxycarbonyl)amino]butanoic acid, 851B300, A809972, I14-3482, J-009664, W-200141, I14-41174, boc-b-homoalanine, Boc-|A-HoAla-OH, C9H17NO4, Boc-beta-HoAla-OH - 1G 1g, 3-tert-Butoxycarbonylamino-butyric acid, CB10781, CID5706671, (R)-3-tert-Butoxycarbonylamino-butyric acid, A7541, Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)- (9CI),

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

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