chempirical

1H-Imidazole-5-acetic acid

C5H6N2O2CAS 645-65-8126.11 g/mol

Open in Covalent MOL file
OHONHN
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
217–219 °C (decomposes)
logP
0.04Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
645-65-8
SMILES
O=C(O)Cc1cnc[nH]1
InChIKey
PRJKNHOMHKJCEJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)

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

Names and synonyms

15 names · show all
  • Imidazole-4-acetic acid
  • 1H-Imidazole-4-acetic acid
  • Imidazole-4(or 5)-acetic acid
  • Imidazoleacetic acid
  • (Imidazol-4-yl)acetic acid
  • Imidazol-4(5)-ylacetic acid
  • NSC 60104
  • (3H-Imidazol-4-yl)acetic acid
  • I-4-AA
  • 4-(Carboxymethyl)-1H-imidazole
  • (1H-Imidazol-4-yl)acetic acid
  • 2-(1H-Imidazol-5-yl)acetic acid
  • Imidazole-5-acetic acid
  • 2-(1H-Imidazol-4-yl)acetic acid
  • 5-(2-Carboxymethyl)imidazole

Work with 1H-Imidazole-5-acetic 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

Imidazoleacetic acid hydrochloride3251-69-290 % similar Histidylglycine2578-58-751 % similar D-Histidine351-50-850 % similar Dl-histidine4998-57-650 % similar Histidine71-00-150 % similar 1H-Imidazole-5-methanol822-55-948 % similar L-Histidine hydrochloride (1:?)1007-42-746 % similar D-Histidine hydrochloride6341-24-846 % similar

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

Same formula

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7 1-Methyluracil615-77-0

Elsewhere

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