4-amino-3-oxopentanoic acid

C5H9NO3 — CID 134247354

IUPAC4-amino-3-oxopentanoic acid
SMILESCC(N)C(=O)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-3(6)4(7)2-5(8)9/h3H,2,6H2,1H3,(H,8,9)
InChIKeyLPXKGUHBVSPQPG-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.62
Rot. Bonds3

About 4-amino-3-oxopentanoic acid

4-amino-3-oxopentanoic acid (PubChem CID 134247354) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-amino-3-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-3-oxopentanoic acid
PubChem CID134247354
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-amino-3-oxopentanoic acid
SMILESCC(N)C(=O)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-3(6)4(7)2-5(8)9/h3H,2,6H2,1H3,(H,8,9)
InChIKeyLPXKGUHBVSPQPG-UHFFFAOYSA-N
XLogP-0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-amino-3-oxopentanoic 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-amino-3-oxopentanoic acid?
The IUPAC name of 4-amino-3-oxopentanoic acid (CID 134247354) is 4-amino-3-oxopentanoic acid.
What is the SMILES notation for 4-amino-3-oxopentanoic acid?
The canonical SMILES for 4-amino-3-oxopentanoic acid is CC(N)C(=O)CC(=O)O.
What is the InChIKey of 4-amino-3-oxopentanoic acid?
The InChIKey is LPXKGUHBVSPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(6)4(7)2-5(8)9/h3H,2,6H2,1H3,(H,8,9).
What are the key properties of 4-amino-3-oxopentanoic acid?
4-amino-3-oxopentanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-oxopentanoic acid is sourced from PubChem (CID 134247354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).