AG000ZKS

131690-56-7 | (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid

AG000ZKS

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CAS Number	131690-56-7
Catalog Number	AG000ZKS(AGN-PC-0PJK6D)
Chemical Name	(S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid
IUPAC Name	(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid
InChI	InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChI Key	NYTANCDDCQVQHG-VIFPVBQESA-N
MDL Number	MFCD04113698
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
SMILES	O=C(O)C[C@H](N)C1=CC=C(OC)C=C1
Synonyms	131690-56-7, (S)-3-amino-3-(4-methoxyphenyl)propanoic acid, (s)-3-amino-3-(4-methoxy-phenyl)-propionic acid, (S)-beta-(p-methoxyphenyl)alanine, (3S)-3-amino-3-(4-methoxyphenyl)propanoic acid, (s)-3-amino-3-(4-methoxyphenyl)propionic acid, s-3-amino-3-(4-methoxy-phenyl)-propionic acid, (s)-3-(p-methoxyphenyl)-beta-alanine, (S)-beta-(4-Methoxyphenyl)alanine, Benzenepropanoic acid, b-amino-4-methoxy-, (bS)-, h-beta-phe(4-ome)-oh, AC1LECR0, h-d-phg(4-ome)-(c*ch2)oh, SCHEMBL7104579, CTK4B7448, ZINC50501, (s)-b-(p-methoxyphenyl)-b-alanine, ACT08157, BENZENEPROPANOIC ACID, BETA-AMINO-4-METHOXY-, (BETAS)-, ANW-61192, MFCD04113698, AB17827, AC-6599, CM-1109, MCULE-4530719110, (S)-3-(4-Methoxyphenyl)-beta-alanine, AJ-09100, AK-57664, AS-38045, BBV-32460855, SC-65965, AB0004981, AX8031742, TC-149937, FT-0630336, Z5633, (S)-3 -(P-METHOXYPHENYL)-BETA-ALANINE, (S)-3-Amino-3-(4-methoxyphenyl)propionicacid, EN300-152105, X-2277, (s)-3-amino-3-(4-methoxy-phenyl)-propanoic acid, 690A567, (R)- 3-Amino-3-(4-methoxyphenyl)-propionic acid, I01-8243, (s)-beta-amino-beta-(4-methoxyphenyl) propionic acid, C10H13NO3, ZERO/001586, CID684097, ACN-025978, (S)-3-Amino-3-(4-methoxyphenyl)propanoicacid,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	195.09g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.218g/mol
Monoisotopic Mass	195.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

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