chempirical

5-Hydantoinacetic acid

C5H6N2O4CAS 5427-26-9158.11 g/mol

Open in Covalent MOL file
OHOHNONHO
Carboxylic acid

Properties

Molecular formula
C5H6N2O4
Molar mass
158.11 g/mol
Exact mass
158.0328 Da
Melting point
220–225 °C
logP
-0.29Crippen estimate
Polar surface area
102.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
5427-26-9
SMILES
O=C(O)CC1N=C(O)N=C1O
InChIKey
DQQLZADYSWBCOX-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)

Weigh it out

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

Names and synonyms

9 names
  • 4-Imidazolidineacetic acid, 2,5-dioxo-
  • 2,5-Dioxo-4-imidazolidineacetic acid
  • 5-(Carboxymethyl)hydantoin
  • 2,4-Dioxoimidazolidine-5-acetic acid
  • DL-5-(Carboxymethyl)hydantoin
  • NSC 14985
  • NSC 49347
  • (2,5-Dioxoimidazolidin-4-yl)acetic acid
  • 2-(2,5-Dioxoimidazolidin-4-yl)acetic acid

Work with 5-Hydantoinacetic 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

5-[2-(Methylthio)ethyl]-2,4-imidazolidinedione13253-44-647 % similar 5-(Phenylmethyl)-2,4-imidazolidinedione3530-82-345 % similar Glycyl-L-aspartic acid4685-12-544 % similar N-Acetylaspartic acid2545-40-642 % similar N-Acetyl-L-aspartic acid997-55-742 % similar N-Formyl-L-aspartic acid19427-28-239 % similar 3-Methylbutanoic acid503-74-238 % similar 5-Isopropylhydantoin16935-34-537 % similar

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

Same formula

(2Z)-4-[(Aminocarbonyl)amino]-4-oxo-2-butenoic acid105-61-3 Ibotenic acid2552-55-8 L-Dihydroorotic acid5988-19-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook