chempirical

Citrulline

C6H13N3O3CAS 627-77-0175.19 g/mol

Open in Covalent MOL file
NH2ONHNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H13N3O3
Molar mass
175.19 g/mol
Exact mass
175.0957 Da
Melting point
210 °C
logP
-0.74Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
5 / 3
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 3 ECHA notifiers. Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
627-77-0
SMILES
N=C(O)NCCCC(N)C(=O)O
InChIKey
RHGKLRLOHDJJDR-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

Weigh it out

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

Names and synonyms

14 names · show all
  • Citrulline, (+-)-
  • Ornithine, N5-(aminocarbonyl)-
  • Ornithine, N5-carbamoyl-, DL-
  • DL-Ornithine, N5-(aminocarbonyl)-
  • Citrulline, dl-
  • N5-(Aminocarbonyl)ornithine
  • DL-Citrulline
  • (±)-Citrulline
  • Norvaline, 5-[(aminocarbonyl)amino]-
  • NSC 46711
  • 2-Amino-5-(carbamoylamino)pentanoic acid
  • 2-Amino-5-ureido-pentanoic acid
  • 2-Amino-5-ureidovaleric acid
  • 2-Azaniumyl-5-(carbamoylamino)pentanoate

Work with Citrulline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Citrulline372-75-8Defined stereoisomer H-D-Cit-oh13594-51-9Defined stereoisomer

Similar compounds

Homocitrulline1190-49-490 % similar D-Arginine157-06-279 % similar (±)-Arginine7200-25-179 % similar Arginine74-79-379 % similar L-(+)-Arginine monohydrochloride1119-34-273 % similar Arginine hydrochloride15595-35-473 % similar Arginine hydrochloride (1:?)32042-43-673 % similar D-Arginine hydrochloride627-75-873 % similar

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

Same formula

2-(2-(2-Azidoethoxy)ethoxy)ethanol86520-52-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia