3-(3-oxoprop-2-enylamino)propanoic acid

C6H9NO3 — CID 87551742

IUPAC3-(3-oxoprop-2-enylamino)propanoic acid
SMILESO=C=CCNCCC(=O)O
InChIInChI=1S/C6H9NO3/c8-5-1-3-7-4-2-6(9)10/h1,7H,2-4H2,(H,9,10)
InChIKeyPPJGVZVTNGBRNL-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds5

About 3-(3-oxoprop-2-enylamino)propanoic acid

3-(3-oxoprop-2-enylamino)propanoic acid (PubChem CID 87551742) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-(3-oxoprop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name3-(3-oxoprop-2-enylamino)propanoic acid
PubChem CID87551742
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-(3-oxoprop-2-enylamino)propanoic acid
SMILESO=C=CCNCCC(=O)O
InChIInChI=1S/C6H9NO3/c8-5-1-3-7-4-2-6(9)10/h1,7H,2-4H2,(H,9,10)
InChIKeyPPJGVZVTNGBRNL-UHFFFAOYSA-N
XLogP-0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-oxoprop-2-enylamino)propanoic 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 3-(3-oxoprop-2-enylamino)propanoic acid?
The IUPAC name of 3-(3-oxoprop-2-enylamino)propanoic acid (CID 87551742) is 3-(3-oxoprop-2-enylamino)propanoic acid.
What is the SMILES notation for 3-(3-oxoprop-2-enylamino)propanoic acid?
The canonical SMILES for 3-(3-oxoprop-2-enylamino)propanoic acid is O=C=CCNCCC(=O)O.
What is the InChIKey of 3-(3-oxoprop-2-enylamino)propanoic acid?
The InChIKey is PPJGVZVTNGBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5-1-3-7-4-2-6(9)10/h1,7H,2-4H2,(H,9,10).
What are the key properties of 3-(3-oxoprop-2-enylamino)propanoic acid?
3-(3-oxoprop-2-enylamino)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxoprop-2-enylamino)propanoic acid is sourced from PubChem (CID 87551742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).