2-hydroxypent-4-enoate

C5H7O3- — CID 23063769

IUPAC2-hydroxypent-4-enoate
SMILESC=CCC(O)C(=O)[O-]
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2,4,6H,1,3H2,(H,7,8)/p-1
InChIKeyVFSVBYJVPHDQQC-UHFFFAOYSA-M
MW115.11 g/mol
LogP-1.33
Rot. Bonds3

About 2-hydroxypent-4-enoate

2-hydroxypent-4-enoate (PubChem CID 23063769) has the molecular formula C5H7O3- and a molecular weight of 115.11 g/mol. Its IUPAC name is 2-hydroxypent-4-enoate.

Molecular Properties

Compound Name2-hydroxypent-4-enoate
PubChem CID23063769
Molecular FormulaC5H7O3-
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name2-hydroxypent-4-enoate
SMILESC=CCC(O)C(=O)[O-]
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2,4,6H,1,3H2,(H,7,8)/p-1
InChIKeyVFSVBYJVPHDQQC-UHFFFAOYSA-M
XLogP-1.33
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxypent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodopent-4-enoate
CID 18921929
2-prop-2-enylbutanedioate
CID 18008387
tetrakis(2-acetylpent-4-enoate);titanium(4+)
CID 173063293
2-acetylpent-4-enoate;methanolate;titanium(4+)
CID 173160592
tetrakis(prop-2-enyl)phosphanium acetate
CID 87134475
sodium 2-ethenylbut-3-enoate
CID 23676567
lithium 3-fluoro-2-hydroxypropanoate
CID 167714302
cadmium(2+);bis(2,3-dihydroxypropanoate)
CID 175584526
2-(2-sulfanylideneethyl)pent-4-enoate;trimethylstannanylium
CID 88796133
lithium;2,4-dihydroxy-4-oxobutanoate;methyl prop-2-enoate
CID 174803207
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
pent-4-en-2-ol;urea
CID 88650571

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypent-4-enoate?
The IUPAC name of 2-hydroxypent-4-enoate (CID 23063769) is 2-hydroxypent-4-enoate.
What is the SMILES notation for 2-hydroxypent-4-enoate?
The canonical SMILES for 2-hydroxypent-4-enoate is C=CCC(O)C(=O)[O-].
What is the InChIKey of 2-hydroxypent-4-enoate?
The InChIKey is VFSVBYJVPHDQQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2,4,6H,1,3H2,(H,7,8)/p-1.
What are the key properties of 2-hydroxypent-4-enoate?
2-hydroxypent-4-enoate has a molecular weight of 115.11 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypent-4-enoate is sourced from PubChem (CID 23063769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).