Nomega-nitro-L-arginine

C₆H₁₃N₅O₄CAS 2149-70-4219.20 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine Nitro Primary amine

Properties

Molecular formula: C₆H₁₃N₅O₄
Molar mass: 219.20 g/mol
Exact mass: 219.0968 Da
Melting point: 227–228 °C
logP: -1.52Crippen estimate
Polar surface area: 154.4 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2149-70-4

SMILES

N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-]

InChIKey

MRAUNPAHJZDYCK-BYPYZUCNSA-N

InChI

InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1

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

Names and synonyms

20 names · show all

Nitroarginine
Nitro-L-arginine
NG-Nitroarginine
L-Ornithine, N5-[imino(nitroamino)methyl]-
Ornithine, N5-(nitroamidino)-, L-
N5-[Imino(nitroamino)methyl]-L-ornithine
ω-Nitro-L-arginine
ω-Nitroarginine
(+)-NG-Nitroarginine
L-Arginine, ω-nitro-
L-Arginine, NG-nitro-
L-NG-Nitroarginine
Nω-Nitro-L-arginine
NOLA
NG-Nitro-L-arginine
NSC 53662
L-NNA
L-NOARG
(2S)-2-Amino-5-(N′-nitrocarbamimidamido)pentanoic acid
(2S)-5-[[Amino(nitramido)methylidene]amino]-2-azaniumylpentanoate

Work with Nomega-nitro-L-arginine

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.

N'-Nitro-D-arginine66036-77-9

Similar compounds

Nitroarginine methyl ester hydrochloride51298-62-562 % similar Nomega-Propyl-L-arginine137361-05-862 % similar Citrulline372-75-860 % similar Citrulline627-77-060 % similar D-Arginine157-06-257 % similar (±)-Arginine7200-25-157 % similar Arginine74-79-357 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-356 % similar

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

Elsewhere

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