but-3-enyl 2-hydroxypropanoate

C7H12O3 — CID 71419050

IUPACbut-3-enyl 2-hydroxypropanoate
SMILESC=CCCOC(=O)C(C)O
InChIInChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3,6,8H,1,4-5H2,2H3
InChIKeyJUMWMTWQAVPKAV-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds4

About but-3-enyl 2-hydroxypropanoate

but-3-enyl 2-hydroxypropanoate (PubChem CID 71419050) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is but-3-enyl 2-hydroxypropanoate.

Molecular Properties

Compound Namebut-3-enyl 2-hydroxypropanoate
PubChem CID71419050
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namebut-3-enyl 2-hydroxypropanoate
SMILESC=CCCOC(=O)C(C)O
InChIInChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3,6,8H,1,4-5H2,2H3
InChIKeyJUMWMTWQAVPKAV-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-3-enyl 2-hydroxypropanoate 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 but-3-enyl 2-hydroxypropanoate?
The IUPAC name of but-3-enyl 2-hydroxypropanoate (CID 71419050) is but-3-enyl 2-hydroxypropanoate.
What is the SMILES notation for but-3-enyl 2-hydroxypropanoate?
The canonical SMILES for but-3-enyl 2-hydroxypropanoate is C=CCCOC(=O)C(C)O.
What is the InChIKey of but-3-enyl 2-hydroxypropanoate?
The InChIKey is JUMWMTWQAVPKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3,6,8H,1,4-5H2,2H3.
What are the key properties of but-3-enyl 2-hydroxypropanoate?
but-3-enyl 2-hydroxypropanoate 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 but-3-enyl 2-hydroxypropanoate is sourced from PubChem (CID 71419050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).