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

C₇H₁₅N₅O₃ — CID 173187265

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 CID: 173187265
• Molecular Formula: C₇H₁₅N₅O₃
• Molecular Weight: 217.23 g/mol
• Exact Mass: 217.12
• IUPAC Name: (2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
• SMILES: NC(=O)[C@@H](N)CCC/N=C(/N)C[N+](=O)[O-]
• InChI: 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
• InChIKey: LODJRISQOZTDAG-YFKPBYRVSA-N
• XLogP: -1.79
• TPSA: 150.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.23
LogP ≤ 5	-1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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'}

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).

Sources

• PubChem CID 173187265 — identifiers, structure, computed properties (public domain)

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