3-hydroxy-2-(prop-2-enoylamino)butanoic acid

C7H11NO4 — CID 18798156

IUPAC3-hydroxy-2-(prop-2-enoylamino)butanoic acid
SMILESC=CC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C7H11NO4/c1-3-5(10)8-6(4(2)9)7(11)12/h3-4,6,9H,1H2,2H3,(H,8,10)(H,11,12)
InChIKeyUZGJSYLDQGUBMY-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.88
Rot. Bonds4

About 3-hydroxy-2-(prop-2-enoylamino)butanoic acid

3-hydroxy-2-(prop-2-enoylamino)butanoic acid (PubChem CID 18798156) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-hydroxy-2-(prop-2-enoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(prop-2-enoylamino)butanoic acid
PubChem CID18798156
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-hydroxy-2-(prop-2-enoylamino)butanoic acid
SMILESC=CC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C7H11NO4/c1-3-5(10)8-6(4(2)9)7(11)12/h3-4,6,9H,1H2,2H3,(H,8,10)(H,11,12)
InChIKeyUZGJSYLDQGUBMY-UHFFFAOYSA-N
XLogP-0.88
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(prop-2-enoylamino)butanoic 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-hydroxy-2-(prop-2-enoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(prop-2-enoylamino)butanoic acid (CID 18798156) is 3-hydroxy-2-(prop-2-enoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(prop-2-enoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(prop-2-enoylamino)butanoic acid is C=CC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-(prop-2-enoylamino)butanoic acid?
The InChIKey is UZGJSYLDQGUBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-5(10)8-6(4(2)9)7(11)12/h3-4,6,9H,1H2,2H3,(H,8,10)(H,11,12).
What are the key properties of 3-hydroxy-2-(prop-2-enoylamino)butanoic acid?
3-hydroxy-2-(prop-2-enoylamino)butanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(prop-2-enoylamino)butanoic acid is sourced from PubChem (CID 18798156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).