4-iminopentanoic acid

C5H9NO2 — CID 19957986

IUPAC4-iminopentanoic acid
SMILES[H]/N=C(\C)CCC(=O)O
InChIInChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyVNXZAFOYPRJQSC-GQCTYLIASA-N
MW115.13 g/mol
LogP0.89
Rot. Bonds3

About 4-iminopentanoic acid

4-iminopentanoic acid (PubChem CID 19957986) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-iminopentanoic acid.

Molecular Properties

Compound Name4-iminopentanoic acid
PubChem CID19957986
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-iminopentanoic acid
SMILES[H]/N=C(\C)CCC(=O)O
InChIInChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeyVNXZAFOYPRJQSC-GQCTYLIASA-N
XLogP0.89
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-iminopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iminopentanoic acid?
The IUPAC name of 4-iminopentanoic acid (CID 19957986) is 4-iminopentanoic acid.
What is the SMILES notation for 4-iminopentanoic acid?
The canonical SMILES for 4-iminopentanoic acid is [H]/N=C(\C)CCC(=O)O.
What is the InChIKey of 4-iminopentanoic acid?
The InChIKey is VNXZAFOYPRJQSC-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(6)2-3-5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+.
What are the key properties of 4-iminopentanoic acid?
4-iminopentanoic acid has a molecular weight of 115.13 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopentanoic acid is sourced from PubChem (CID 19957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).