2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid

C₁₉H₁₈N₂O₅CAS 59564-78-2354.36 g/mol

Open in Covalent MOL file

Carboxylic acid Urea

Properties

Molecular formula: C₁₉H₁₈N₂O₅
Molar mass: 354.36 g/mol
Exact mass: 354.1216 Da
logP: 2.03Crippen estimate
Polar surface area: 98.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6

Identifiers

CAS number

59564-78-2

SMILES

O=C(O)C1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1

InChIKey

QSMUFXXTSUEZJA-UHFFFAOYSA-N

InChI

InChI=1S/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)

Weigh it out

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

Names and synonyms

3 names

4,5-Imidazolidinedicarboxylic acid, 2-oxo-1,3-bis(phenylmethyl)-
1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

Work with 2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic 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

1-(Phenylmethyl)-4-piperidinecarboxylic acid10315-07-853 % similar (R)-4-Benzyl-5-oxo-3-morpholinecarboxylic acid106973-36-852 % similar Benzylmalonic acid616-75-150 % similar 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-849 % similar (-)-3-Phenyllactic acid20312-36-147 % similar (+)-3-Phenyllactic acid7326-19-447 % similar (±)-3-Phenyllactic acid828-01-347 % similar (R)-(+)-2-Benzyloxypropionic acid100836-85-946 % similar

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

Same formula

Fmoc-D-asn-OH108321-39-7 cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid51591-75-4 Fmoc-L-asparagine71989-16-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook