H-D-Cit-oh

C₆H₁₃N₃O₃CAS 13594-51-9175.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Urea

Properties

Molecular formula: C₆H₁₃N₃O₃
Molar mass: 175.19 g/mol
Exact mass: 175.0957 Da
logP: -1.15Crippen estimate
Polar surface area: 118.4 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13594-51-9

SMILES

C(C[C@H](C(=O)O)N)CNC(=O)N

InChIKey

RHGKLRLOHDJJDR-SCSAIBSYSA-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)/t4-/m1/s1

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

Names and synonyms

1 names

(2R)-2-Amino-5-(carbamoylamino)pentanoic acid

Work with H-D-Cit-oh

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.

Citrulline372-75-8Enantiomer Citrulline627-77-0Stereo not defined

Similar compounds

D-Arginine157-06-268 % similar (±)-Arginine7200-25-168 % similar Arginine74-79-368 % similar L-(+)-Arginine monohydrochloride1119-34-263 % similar Arginine hydrochloride15595-35-463 % similar Arginine hydrochloride (1:?)32042-43-663 % similar D-Arginine hydrochloride627-75-863 % similar Homocitrulline1190-49-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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