4-hydroxypent-4-enoic acid

C5H8O3 — CID 19591824

IUPAC4-hydroxypent-4-enoic acid
SMILESC=C(O)CCC(=O)O
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h6H,1-3H2,(H,7,8)
InChIKeyGUOMOOPSVWPWPY-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.92
Rot. Bonds3

About 4-hydroxypent-4-enoic acid

4-hydroxypent-4-enoic acid (PubChem CID 19591824) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name4-hydroxypent-4-enoic acid
PubChem CID19591824
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name4-hydroxypent-4-enoic acid
SMILESC=C(O)CCC(=O)O
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h6H,1-3H2,(H,7,8)
InChIKeyGUOMOOPSVWPWPY-UHFFFAOYSA-N
XLogP0.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

butanedioic acid;ethene
CID 87532899
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
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bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
2-methylidenepentanedioic acid
CID 88647821
butanedioic acid;bis(2-methylprop-2-enoic acid)
CID 87659592
11-hydroxydodec-11-enoic acid
CID 23566131
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;zinc;dihydrate
CID 175420905

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-4-enoic acid?
The IUPAC name of 4-hydroxypent-4-enoic acid (CID 19591824) is 4-hydroxypent-4-enoic acid.
What is the SMILES notation for 4-hydroxypent-4-enoic acid?
The canonical SMILES for 4-hydroxypent-4-enoic acid is C=C(O)CCC(=O)O.
What is the InChIKey of 4-hydroxypent-4-enoic acid?
The InChIKey is GUOMOOPSVWPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h6H,1-3H2,(H,7,8).
What are the key properties of 4-hydroxypent-4-enoic acid?
4-hydroxypent-4-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-4-enoic acid is sourced from PubChem (CID 19591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).