(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide

C7H15N5O3 — CID 173187265

IUPAC(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
SMILESNC(=O)[C@@H](N)CCC/N=C(/N)C[N+](=O)[O-]
InChIInChI=1S/C7H15N5O3/c8-5(7(10)13)2-1-3-11-6(9)4-12(14)15/h5H,1-4,8H2,(H2,9,11)(H2,10,13)/t5-/m0/s1
InChIKeyLODJRISQOZTDAG-YFKPBYRVSA-N
MW217.23 g/mol
LogP-1.79
Rot. Bonds7

About (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide

(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide (PubChem CID 173187265) has the molecular formula C7H15N5O3 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
PubChem CID173187265
Molecular FormulaC7H15N5O3
Molecular Weight217.23 g/mol
Exact Mass217.12
IUPAC Name(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
SMILESNC(=O)[C@@H](N)CCC/N=C(/N)C[N+](=O)[O-]
InChIInChI=1S/C7H15N5O3/c8-5(7(10)13)2-1-3-11-6(9)4-12(14)15/h5H,1-4,8H2,(H2,9,11)(H2,10,13)/t5-/m0/s1
InChIKeyLODJRISQOZTDAG-YFKPBYRVSA-N
XLogP-1.79
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
CID 14179321
(2S)-2-amino-6-[(1-amino-2-nitroethylidene)amino]-N-hexylhexanamide
CID 160510004
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;tris(nitric acid)
CID 86628840
nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;silver
CID 174523791
(2S)-2-amino-5-[[amino-[(1-carboxy-2-nitroethyl)amino]methylidene]amino]pentanoic acid
CID 21120411
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
CID 154445908
silver (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 22982496
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
lithium 2-amino-5-(diaminomethylideneamino)pentanoate
CID 23698044
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(2R)-1,4-diamino-1-oxobutan-2-yl]pentanamide
CID 46936229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide?
The IUPAC name of (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide (CID 173187265) is (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide.
What is the SMILES notation for (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide?
The canonical SMILES for (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide is NC(=O)[C@@H](N)CCC/N=C(/N)C[N+](=O)[O-].
What is the InChIKey of (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide?
The InChIKey is LODJRISQOZTDAG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N5O3/c8-5(7(10)13)2-1-3-11-6(9)4-12(14)15/h5H,1-4,8H2,(H2,9,11)(H2,10,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide?
(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide has a molecular weight of 217.23 g/mol, XLogP of -1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide is sourced from PubChem (CID 173187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).