chempirical

cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic acid

C19H18N2O5CAS 51591-75-4354.36 g/mol

Open in Covalent MOL file
OOHOOHNON
Carboxylic acidUrea

Properties

Molecular formula
C19H18N2O5
Molar mass
354.36 g/mol
Exact mass
354.1216 Da
Melting point
236 °C
logP
2.03Crippen estimate
Polar surface area
98.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
51591-75-4
SMILES
O=C(O)[C@@H]1[C@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIKey
QSMUFXXTSUEZJA-IYBDPMFKNA-N
InChI
InChI=1/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)/t15-,16+

Weigh it out

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

Names and synonyms

5 names
  • 4,5-Imidazolidinedicarboxylic acid, 2-oxo-1,3-bis(phenylmethyl)-, (4R,5S)-rel-
  • 4,5-Imidazolidinedicarboxylic acid, 2-oxo-1,3-bis(phenylmethyl)-, cis-
  • 4,5-Imidazolidinedicarboxylic acid, 1,3-dibenzyl-2-oxo-, cis-
  • Rel-(4R,5S)-2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid
  • (4R,5S)-Rel-2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid

Work with cis-1,3-Dibenzyl-2-imidazolidone-4,5-dicarboxylic 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 2-Oxo-1,3-bis(phenylmethyl)-4,5-imidazolidinedicarboxylic acid59564-78-2 Fmoc-L-asparagine71989-16-7

Elsewhere

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