4-[(2S)-2-amino-2-carboxyethyl]benzoic acid

4-[(2S)-2-amino-2-carboxyethyl]benzoic acid

CAS: 126109-42-0

Formula: C10H11NO4

SMILES: N[C@@H](CC1=CC=C(C=C1)C(O)=O)C(O)=O

IUPAC: 4-[(2S)-2-amino-2-carboxyethyl]benzoic acid

InChI: InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m0/s1

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	209.068807838
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	YXDGRBPZVQPESQ-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.37
Topological Polar Surface Area	100.62
Polarizability	20.28
Ring Count	1
Rotatable Bond Count	4

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