AG001E7P

146669-29-6 | Benzeneacetic acid, α-amino-4-carboxy-α-methyl-

AG001E7P

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CAS Number	146669-29-6
Catalog Number	AG001E7P(AGN-PC-0JK5S2)
Chemical Name	Benzeneacetic acid, α-amino-4-carboxy-α-methyl-
IUPAC Name	4-(1-amino-1-carboxyethyl)benzoic acid
InChI	InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
InChI Key	DNCAZYRLRMTVSF-UHFFFAOYSA-N
MDL Number	MFCD00210205
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	OC(=O)c1ccc(cc1)C(C(=O)O)(N)C
Synonyms	2-methyl-4-carboxyphenylglycine, alpha-MCPG, alpha-methyl-4-carboxyphenylglycine, alpha-methyl-CPGly, LY-367385, LY367385, (RS)-MCPG, 146669-29-6, 4-(1-amino-1-carboxyethyl)benzoic acid, alpha-Methyl-4-carboxyphenylglycine, alpha-Mcpg, alpha-Methyl-cpgly, CHEMBL299683, alpha-Amino-4-carboxy-alpha-methylbenzeneacetic acid, Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl-, (+/-)-alpha-Methyl-4-carboxyphenylglycine, (+/-)-alpha-Methyl-(4-carboxyphenyl)glycine, Benzeneacetic acid, a-amino-4-carboxy-a-methyl-, C10H11NO4, Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl-, (+-)-, (+/-)-MCPG, (R,S)-MCPG, ACMC-20cchr, AC1L1AZT, AC1Q5S1R, Lopac0_000747, SCHEMBL715285, ( inverted question mark)-MCPG, (+-)-MCPG, (+/-)MCPG, CTK4C5052, KS-00001CLO, HMS3262E16, BCP18268, ( inverted exclamation markA)-MCPG, Tox21_500747, BDBM50030627, BN0322, MFCD00210205, (RS)-?-Methyl-4-carboxyphenylglycine, AKOS005066801, CCG-204832, CS-5708, LP00747, (y)-alpha-Methyl-4-carboxyphenylglycine, (?)-alpha-Methyl-4-carboxyphenylglycine, alpha-Methyl-2-(4-carboxyphenyl)glycine, NCGC00015676-03, NCGC00015676-04, NCGC00015676-05, NCGC00015676-06, NCGC00024542-02, NCGC00024542-03, NCGC00024542-04, NCGC00261432-01, (r,s)-alpha-methyl-4-carboxyphenylglycine, HY-100371, LS-173280, RT-015311, EU-0100747, ST50825577, M 4796, L000020, SR-01000075733, J-008240, SR-01000075733-1, 4-(1-Amino-1-carboxy-ethyl)-benzoic acid(S-M4CPG), 4-(2-amino-1-hydroxy-1-oxopropan-2-yl)benzoic acid, ( inverted question mark)-alpha-Methyl-4-carboxyphenylglycine, MCPG, UNII-7HJ67IIE31, 7HJ67IIE31, 2-methyl-4-carboxyphenylglycine, CID1222, AR-1F5561, C10-H11-N-O4, (rs)-alpha-methyl-4-carboxyphenylglycine, LY367385, LY-367385, 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID, C079694, 149021-83-0, MCG,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

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