3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide

C8H15NO3 — CID 140606086

IUPAC3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide
SMILESCCC(CO)NC(=O)C=C(C)O
InChIInChI=1S/C8H15NO3/c1-3-7(5-10)9-8(12)4-6(2)11/h4,7,10-11H,3,5H2,1-2H3,(H,9,12)
InChIKeyKTSAKZHDNSNBQA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.34
Rot. Bonds4

About 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide

3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide (PubChem CID 140606086) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide
PubChem CID140606086
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide
SMILESCCC(CO)NC(=O)C=C(C)O
InChIInChI=1S/C8H15NO3/c1-3-7(5-10)9-8(12)4-6(2)11/h4,7,10-11H,3,5H2,1-2H3,(H,9,12)
InChIKeyKTSAKZHDNSNBQA-UHFFFAOYSA-N
XLogP0.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide 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-N-(1-hydroxybutan-2-yl)but-2-enamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide (CID 140606086) is 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide is CCC(CO)NC(=O)C=C(C)O.
What is the InChIKey of 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide?
The InChIKey is KTSAKZHDNSNBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-7(5-10)9-8(12)4-6(2)11/h4,7,10-11H,3,5H2,1-2H3,(H,9,12).
What are the key properties of 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide?
3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxybutan-2-yl)but-2-enamide is sourced from PubChem (CID 140606086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).