chempirical

Histidylglycine

C8H12N4O3CAS 2578-58-7212.21 g/mol

Open in Covalent MOL file
NH2NHNONHOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H12N4O3
Molar mass
212.21 g/mol
Exact mass
212.0909 Da
Melting point
167–170 °C (decomposes)
logP
-0.68Crippen estimate
Polar surface area
124.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2578-58-7
SMILES
N[C@@H](Cc1cnc[nH]1)C(O)=NCC(=O)O
InChIKey
LYCVKHSJGDMDLM-LURJTMIESA-N
InChI
InChI=1S/C8H12N4O3/c9-6(1-5-2-10-4-12-5)8(15)11-3-7(13)14/h2,4,6H,1,3,9H2,(H,10,12)(H,11,15)(H,13,14)/t6-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Glycine, L-histidyl-
  • Glycine, N-L-histidyl-
  • L-Histidylglycine
  • N-(L-Histidyl)glycine
  • NSC 522626
  • 153: PN: EP2161028 PAGE: 10 claimed protein
  • 13: PN: WO2014018423 PAGE: 215 claimed sequence
  • 7: PN: EP2878667 TABLE: 5 claimed sequence
  • (S)-2-(2-Amino-3-(1H-imidazol-4-yl)propanamido)acetic acid
  • (S)-2-(2-Amino-3-(1H-imidazol-4-yl)propanamido)aceticacid
  • 18: PN: WO2021026336 PAGE: 101 claimed sequence

Work with Histidylglycine

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

D-Histidine351-50-859 % similar DL-Histidine4998-57-659 % similar Histidine71-00-159 % similar L-Histidine hydrochloride (1:?)1007-42-755 % similar D-Histidine hydrochloride6341-24-855 % similar L-Histidine monohydrochloride645-35-255 % similar DL-Histidine hydrochloride6459-59-255 % similar L-Tryptophanylglycine7360-09-054 % similar

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

Same formula

1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide139756-01-7 Caffeine monohydrate5743-12-4 6-Amino-1,3-diethyl-5-nitroso-2,4(1H,3H)-pyrimidinedione89073-60-9

Elsewhere

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