chempirical

Anserine

C10H16N4O3CAS 584-85-0240.26 g/mol

Open in Covalent MOL file
NNHNOH2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C10H16N4O3
Molar mass
240.26 g/mol
Exact mass
240.1222 Da
Melting point
231–232 °C
logP
-0.28Crippen estimate
Polar surface area
113.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
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
584-85-0
SMILES
Cn1cncc1C[C@H](N=C(O)CCN)C(=O)O
InChIKey
MYYIAHXIVFADCU-QMMMGPOBSA-N
InChI
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Histidine, β-alanyl-3-methyl-
  • L-Histidine, N-β-alanyl-3-methyl-
  • Histidine, N-β-alanyl-3-methyl-, L-
  • β-Alanyl-3-methyl-L-histidine
  • L-Anserine
  • Marine active
  • 1: PN: WO2009033771 PAGE: 100 claimed protein

Work with Anserine

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

Carnosine305-84-060 % similar 3-Methylhistidine368-16-159 % similar Acetylcarnosine56353-15-245 % similar Glycylphenylalanine3321-03-743 % similar Glycylphenylalanine721-66-443 % similar Glycyl-L-tyrosine658-79-741 % similar Pyroglutamic acid149-87-140 % similar (+)-Pyroglutamic acid4042-36-840 % similar

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

Same formula

Dimetilan644-64-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia