chempirical

Homocitrulline

C7H15N3O3CAS 1190-49-4189.22 g/mol

Open in Covalent MOL file
NH2ONHNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H15N3O3
Molar mass
189.22 g/mol
Exact mass
189.1113 Da
Melting point
211–212 °C (decomposes)
logP
-0.35Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
5 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1190-49-4
SMILES
N=C(O)NCCCC[C@H](N)C(=O)O
InChIKey
XIGSAGMEBXLVJJ-YFKPBYRVSA-N
InChI
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1

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

Names and synonyms

9 names
  • L-Lysine, N6-(aminocarbonyl)-
  • Lysine, N6-carbamoyl-, L-
  • Lysine, N6-carbamoyl-
  • N6-(Aminocarbonyl)-L-lysine
  • L-Homocitrulline
  • N-ε-Carbamyl-L-lysine
  • Homo-L-citrulline
  • NSC 27428
  • (S)-2-Amino-6-ureidohexanoic acid

Work with Homocitrulline

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

Citrulline372-75-890 % similar Citrulline627-77-090 % similar Homoarginine156-86-580 % similar L-Homoarginine hydrochloride1483-01-874 % similar D-Arginine157-06-272 % similar (±)-Arginine7200-25-172 % similar Arginine74-79-372 % similar L-(+)-Arginine monohydrochloride1119-34-267 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia