chempirical

N-Phenyliminodiacetic acid

C10H11NO4CAS 1137-73-1209.20 g/mol

Open in Covalent MOL file
OOHNOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
Melting point
150 °C
logP
0.66Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
1137-73-1
SMILES
O=C(O)CN(CC(=O)O)c1ccccc1
InChIKey
GQBWTAGIANQVGB-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)

Weigh it out

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

Names and synonyms

11 names
  • Glycine, N-(carboxymethyl)-N-phenyl-
  • Acetic acid, (phenylimino)di-
  • N-(Carboxymethyl)-N-phenylglycine
  • N-(Carboxymethyl)anilinoacetic acid
  • (Phenylimino)diacetic acid
  • Anilinediacetic acid
  • Anilinodiacetic acid
  • NSC 105534
  • 2,2′-(Phenylazanediyl)diacetic acid
  • 2-[N-(Carboxymethyl)anilino]acetic acid
  • 2-[(Carboxymethyl)(phenyl)amino]acetic acid

Work with N-Phenyliminodiacetic acid

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

N-(Carboxymethyl)-N-(phenylmethyl)glycine3987-53-956 % similar Bapta85233-19-853 % similar N-Phthaloylglycine4702-13-052 % similar Phenylacetic acid103-82-250 % similar Phenylpropanoic acid501-52-048 % similar (Phenylthio)acetic acid103-04-847 % similar 4-Phenylbutyric acid1821-12-147 % similar 1,2-Benzenediacetic acid7500-53-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 Benzyloxycarbonylglycine1138-80-3 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-5 Dimethyl 3-aminoterephthalate5372-81-6 Ethyl p-nitrophenylacetate5445-26-1 4-Nitrobenzenebutanoic acid5600-62-4

Elsewhere

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