(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide

C7H16N6O3 — CID 154445908

IUPAC(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
SMILESCNC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/C7H16N6O3/c1-10-6(14)5(8)3-2-4-11-7(9)12-13(15)16/h5H,2-4,8H2,1H3,(H,10,14)(H3,9,11,12)/t5-/m0/s1
InChIKeyBZWOEQSQWFKMQE-YFKPBYRVSA-N
MW232.24 g/mol
LogP-2.06
Rot. Bonds6

About (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide

(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide (PubChem CID 154445908) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
PubChem CID154445908
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Name(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
SMILESCNC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/C7H16N6O3/c1-10-6(14)5(8)3-2-4-11-7(9)12-13(15)16/h5H,2-4,8H2,1H3,(H,10,14)(H3,9,11,12)/t5-/m0/s1
InChIKeyBZWOEQSQWFKMQE-YFKPBYRVSA-N
XLogP-2.06
TPSA148.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
CID 14179321
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(2R)-1,4-diamino-1-oxobutan-2-yl]pentanamide
CID 46936229
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(1R)-1-dimethylboranyl-3-methylbutyl]pentanamide
CID 58864975
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430
2-amino-5-[[amino(nitramido)methylidene]amino]-N,N-diheptylpentanamide
CID 135364274
(2S)-2-amino-5-[[amino-(2-methoxyethylamino)methylidene]amino]-N-methylpentanamide
CID 11160923
(2S)-4-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]pyrrolidine-2-carboxamide
CID 10065208
methyl (2S)-2-[[(2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate
CID 10523811
(2S,4R)-4-amino-1-[(2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]pyrrolidine-2-carboxamide
CID 73354378
2-[4-amino-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-5-oxopentyl]-1-nitroguanidine;hydrochloride
CID 70087743
2-(4-amino-5-anilinopentyl)-1-nitroguanidine
CID 23523613
4-[4-[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]piperazin-1-yl]butanoic acid
CID 160689363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide (CID 154445908) is (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide is CNC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-].
What is the InChIKey of (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide?
The InChIKey is BZWOEQSQWFKMQE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H16N6O3/c1-10-6(14)5(8)3-2-4-11-7(9)12-13(15)16/h5H,2-4,8H2,1H3,(H,10,14)(H3,9,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide?
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide has a molecular weight of 232.24 g/mol, XLogP of -2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide is sourced from PubChem (CID 154445908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).