N-(2-Carboxyphenyl)glycine

C9H9NO4CAS 612-42-0195.17 g/mol

Open in Covalent MOL file
OHOHNOOH
Carboxylic acidSecondary amine

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
218 °C
logP
0.88Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
612-42-0
SMILES
O=C(O)CNc1ccccc1C(=O)O
InChIKey
PJUXPMVQAZLJEX-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-[(carboxymethyl)amino]-
  • Anthranilic acid, N-(carboxymethyl)-
  • 2-[(Carboxymethyl)amino]benzoic acid
  • N-(Carboxymethyl)anthranilic acid
  • NSC 80600

Work with N-(2-Carboxyphenyl)glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-((Phenylmethyl)amino)benzoic acid6622-55-562 % similar N-Methylanthranilic acid119-68-656 % similar N-Phenylglycine103-01-554 % similar 2-Carboxyphenylhydrazine hydrochloride52356-01-154 % similar Homophthalic acid89-51-054 % similar Fenamic acid91-40-754 % similar 2-[(Carboxymethyl)thio]benzoic acid135-13-754 % similar Phthalic acid88-99-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5

Elsewhere

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