chempirical

N-(Carboxymethyl)-N-(phenylmethyl)glycine

C11H13NO4CAS 3987-53-9223.23 g/mol

Open in Covalent MOL file
OHONOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
198 °C (decomposes)
logP
0.66Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Identifiers

CAS number
3987-53-9
SMILES
O=C(O)CN(CC(=O)O)Cc1ccccc1
InChIKey
SZQUPQVVCLFZLC-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

9 names
  • Glycine, N-(carboxymethyl)-N-(phenylmethyl)-
  • Acetic acid, (benzylimino)di-
  • N-Benzyliminodiacetic acid
  • Benzyliminodiacetic acid
  • Benzylbis(carboxymethyl)amine
  • NSC 1003
  • Imidodicarbonic acid, 2-(phenylmethyl)-
  • (Benzyl-carboxymethyl-amino)-acetic acid
  • 2-[Benzyl(carboxymethyl)amino]acetic acid

Work with N-(Carboxymethyl)-N-(phenylmethyl)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

Phenylacetic acid103-82-257 % similar N-Phenyliminodiacetic acid1137-73-156 % similar Phenylpropanoic acid501-52-055 % similar N-Phthaloylglycine4702-13-053 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-653 % similar Nitrilotriacetic acid139-13-952 % similar Tribenzylamine620-40-652 % similar Benzenepentanoic acid2270-20-452 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook