2-hydroxypent-2-enoic acid

C5H8O3 — CID 20977155

IUPAC2-hydroxypent-2-enoic acid
SMILESCCC=C(O)C(=O)O
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8)
InChIKeyIISXAOCGJOIGLD-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.92
Rot. Bonds2

About 2-hydroxypent-2-enoic acid

2-hydroxypent-2-enoic acid (PubChem CID 20977155) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name2-hydroxypent-2-enoic acid
PubChem CID20977155
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-hydroxypent-2-enoic acid
SMILESCCC=C(O)C(=O)O
InChIInChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8)
InChIKeyIISXAOCGJOIGLD-UHFFFAOYSA-N
XLogP0.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane-1,2-dicarboxylic acid;(Z)-2-hydroxypent-2-enoic acid
CID 67426263
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
CID 158703292
CID 158703292
(Z)-1-hydroxy-1-oxopent-2-en-2-olate
CID 54687411
1-ethenylpyrrolidin-2-one;(Z)-2-hydroxypent-2-enoic acid
CID 70369148
2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
2-cyanopent-2-enoic acid
CID 53421663
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
2-hydroxyicosa-2,14-dienoic acid
CID 174406784
2-nitropent-2-enoic acid
CID 150880149
(Z)-2-(2-methylpropyl)pent-2-enoic acid
CID 18516543

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypent-2-enoic acid?
The IUPAC name of 2-hydroxypent-2-enoic acid (CID 20977155) is 2-hydroxypent-2-enoic acid.
What is the SMILES notation for 2-hydroxypent-2-enoic acid?
The canonical SMILES for 2-hydroxypent-2-enoic acid is CCC=C(O)C(=O)O.
What is the InChIKey of 2-hydroxypent-2-enoic acid?
The InChIKey is IISXAOCGJOIGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of 2-hydroxypent-2-enoic acid?
2-hydroxypent-2-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypent-2-enoic acid is sourced from PubChem (CID 20977155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).