(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid

C6H13N5O4 — CID 44593755

IUPAC(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid
SMILESNC(N)=NCCC[C@@H](N[N+](=O)[O-])C(=O)O
InChIInChI=1S/C6H13N5O4/c7-6(8)9-3-1-2-4(5(12)13)10-11(14)15/h4,10H,1-3H2,(H,12,13)(H4,7,8,9)/t4-/m1/s1
InChIKeyWRLUODMOTSXWIP-SCSAIBSYSA-N
MW219.20 g/mol
LogP-1.73
Rot. Bonds7

About (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid

(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid (PubChem CID 44593755) has the molecular formula C6H13N5O4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid.

Molecular Properties

Compound Name(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid
PubChem CID44593755
Molecular FormulaC6H13N5O4
Molecular Weight219.20 g/mol
Exact Mass219.10
IUPAC Name(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid
SMILESNC(N)=NCCC[C@@H](N[N+](=O)[O-])C(=O)O
InChIInChI=1S/C6H13N5O4/c7-6(8)9-3-1-2-4(5(12)13)10-11(14)15/h4,10H,1-3H2,(H,12,13)(H4,7,8,9)/t4-/m1/s1
InChIKeyWRLUODMOTSXWIP-SCSAIBSYSA-N
XLogP-1.73
TPSA156.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

5-(diaminomethylideneamino)-2-nitramidopentanamide;2,3-dimethylbutane
CID 22928527
methyl (2S)-5-(diaminomethylideneamino)-2-nitramidopentanoate;hydrochloride
CID 18601581
tert-butyl (2S)-5-(diaminomethylideneamino)-2-nitramidopentanoate
CID 91023061
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
(2S)-5-(diaminomethylideneamino)-4-methyl-2-nitramidopentanoic acid
CID 54298748
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
(2S)-2-[[amino(carboxy)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 173073203

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid?
The IUPAC name of (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid (CID 44593755) is (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid.
What is the SMILES notation for (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid?
The canonical SMILES for (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid is NC(N)=NCCC[C@@H](N[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid?
The InChIKey is WRLUODMOTSXWIP-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H13N5O4/c7-6(8)9-3-1-2-4(5(12)13)10-11(14)15/h4,10H,1-3H2,(H,12,13)(H4,7,8,9)/t4-/m1/s1.
What are the key properties of (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid?
(2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid has a molecular weight of 219.20 g/mol, XLogP of -1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(diaminomethylideneamino)-2-nitramidopentanoic acid is sourced from PubChem (CID 44593755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).