prop-2-enyl (3S)-3-hydroxybutanoate

C7H12O3 — CID 11367058

IUPACprop-2-enyl (3S)-3-hydroxybutanoate
SMILESC=CCOC(=O)C[C@H](C)O
InChIInChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3,6,8H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyFOCSDZKINLISTL-LURJTMIESA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds4

About prop-2-enyl (3S)-3-hydroxybutanoate

prop-2-enyl (3S)-3-hydroxybutanoate (PubChem CID 11367058) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is prop-2-enyl (3S)-3-hydroxybutanoate.

Molecular Properties

Compound Nameprop-2-enyl (3S)-3-hydroxybutanoate
PubChem CID11367058
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameprop-2-enyl (3S)-3-hydroxybutanoate
SMILESC=CCOC(=O)C[C@H](C)O
InChIInChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3,6,8H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyFOCSDZKINLISTL-LURJTMIESA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl (3S)-3-hydroxybutanoate 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 prop-2-enyl (3S)-3-hydroxybutanoate?
The IUPAC name of prop-2-enyl (3S)-3-hydroxybutanoate (CID 11367058) is prop-2-enyl (3S)-3-hydroxybutanoate.
What is the SMILES notation for prop-2-enyl (3S)-3-hydroxybutanoate?
The canonical SMILES for prop-2-enyl (3S)-3-hydroxybutanoate is C=CCOC(=O)C[C@H](C)O.
What is the InChIKey of prop-2-enyl (3S)-3-hydroxybutanoate?
The InChIKey is FOCSDZKINLISTL-LURJTMIESA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3,6,8H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of prop-2-enyl (3S)-3-hydroxybutanoate?
prop-2-enyl (3S)-3-hydroxybutanoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3S)-3-hydroxybutanoate is sourced from PubChem (CID 11367058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).