Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide

C₁₂H₂₉N₄O₄P — CID 141315652

About Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide

Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide (PubChem CID 141315652) has the molecular formula C₁₂H₂₉N₄O₄P and a molecular weight of 324.36 g/mol. Its IUPAC name is diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide.

Molecular Properties

• Compound Name: Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide
• PubChem CID: 141315652
• Molecular Formula: C₁₂H₂₉N₄O₄P
• Molecular Weight: 324.36 g/mol
• Exact Mass: 324.19
• IUPAC Name: diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide
• SMILES: CC(=O)N[C@@H](C(C)C)[C@H]1CC=C(P(=O)([O-])[O-])C[C@@H]1N.[NH4+].[NH4+]
• InChI: InChI=1S/C12H23N2O4P.2H3N/c1-7(2)12(14-8(3)15)10-5-4-9(6-11(10)13)19(16,17)18;;/h4,7,10-12H,5-6,13H2,1-3H3,(H,14,15)(H2,16,17,18);2*1H3/t10-,11-,12-;;/m0../s1
• InChIKey: LXRHHAYTKSDAQG-MGKSKXMVSA-N
• XLogP: 0.43
• TPSA: 191.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.36
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide?

The IUPAC name of Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide (CID 141315652) is diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide.

What is the SMILES notation for Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide?

The canonical SMILES for Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide is CC(=O)N[C@@H](C(C)C)[C@H]1CC=C(P(=O)([O-])[O-])C[C@@H]1N.[NH4+].[NH4+].

What is the InChIKey of Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide?

The InChIKey is LXRHHAYTKSDAQG-MGKSKXMVSA-N. The full InChI is InChI=1S/C12H23N2O4P.2H3N/c1-7(2)12(14-8(3)15)10-5-4-9(6-11(10)13)19(16,17)18;;/h4,7,10-12H,5-6,13H2,1-3H3,(H,14,15)(H2,16,17,18);2*1H3/t10-,11-,12-;;/m0../s1.

What are the key properties of Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide?

Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Diazanium;N-[(1S)-1-[(1S,6S)-6-amino-4-phosphonatocyclohex-3-en-1-yl]-2-methylpropyl]acetamide is sourced from PubChem (CID 141315652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141315652 — identifiers, structure, computed properties (public domain)

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