N'-Nitro-D-arginine

C6H13N5O4CAS 66036-77-9219.20 g/mol

Open in Covalent MOL file
OHONH2NNH2NHN+OO−
Carboxylic acidGuanidineNitroPrimary amine

Properties

Molecular formula
C6H13N5O4
Molar mass
219.20 g/mol
Exact mass
219.0968 Da
logP
-1.73Crippen estimate
Polar surface area
156.9 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
66036-77-9
SMILES
C(C[C@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-]
InChIKey
MRAUNPAHJZDYCK-SCSAIBSYSA-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-/m1/s1

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Names and synonyms

1 names
  • D-Ornithine, N5-(imino(nitroamino)methyl)-

Work with N'-Nitro-D-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.

Nomega-nitro-L-arginine2149-70-4

Similar compounds

H-D-Arg(no2)-ome hcl50912-92-062 % similar Boc-N'-nitro-L-homoarginine28968-64-156 % similar Acetyllysine692-04-647 % similar Diaminopimelic acid583-93-746 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-844 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-644 % similar H-D-Cit-oh13594-51-943 % similar Ornithine70-26-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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