5-azaniumylpentanoate

C5H11NO2 — CID 6992101

About 5-azaniumylpentanoate

5-azaniumylpentanoate (PubChem CID 6992101) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 5-azaniumylpentanoate.

Molecular Properties

• Compound Name: 5-azaniumylpentanoate
• PubChem CID: 6992101
• Molecular Formula: C5H11NO2
• Molecular Weight: 117.15 g/mol
• Exact Mass: 117.08
• IUPAC Name: 5-azaniumylpentanoate
• SMILES: [NH3+]CCCCC(=O)[O-]
• InChI: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
• InChIKey: JJMDCOVWQOJGCB-UHFFFAOYSA-N
• XLogP: -1.85
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	117.15
LogP ≤ 5	-1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-azaniumylpentanoate?

The IUPAC name of 5-azaniumylpentanoate (CID 6992101) is 5-azaniumylpentanoate.

What is the SMILES notation for 5-azaniumylpentanoate?

The canonical SMILES for 5-azaniumylpentanoate is [NH3+]CCCCC(=O)[O-].

What is the InChIKey of 5-azaniumylpentanoate?

The InChIKey is JJMDCOVWQOJGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8).

What are the key properties of 5-azaniumylpentanoate?

5-azaniumylpentanoate has a molecular weight of 117.15 g/mol, XLogP of -1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-azaniumylpentanoate is sourced from PubChem (CID 6992101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).