3-hydroxy-4-prop-2-enoxybutanoic acid

C7H12O4 — CID 14794986

IUPAC3-hydroxy-4-prop-2-enoxybutanoic acid
SMILESC=CCOCC(O)CC(=O)O
InChIInChI=1S/C7H12O4/c1-2-3-11-5-6(8)4-7(9)10/h2,6,8H,1,3-5H2,(H,9,10)
InChIKeyUWIGFLLNAOIVLL-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.02
Rot. Bonds6

About 3-hydroxy-4-prop-2-enoxybutanoic acid

3-hydroxy-4-prop-2-enoxybutanoic acid (PubChem CID 14794986) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-hydroxy-4-prop-2-enoxybutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-prop-2-enoxybutanoic acid
PubChem CID14794986
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-hydroxy-4-prop-2-enoxybutanoic acid
SMILESC=CCOCC(O)CC(=O)O
InChIInChI=1S/C7H12O4/c1-2-3-11-5-6(8)4-7(9)10/h2,6,8H,1,3-5H2,(H,9,10)
InChIKeyUWIGFLLNAOIVLL-UHFFFAOYSA-N
XLogP0.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-prop-2-enoxybutanoic acid?
The IUPAC name of 3-hydroxy-4-prop-2-enoxybutanoic acid (CID 14794986) is 3-hydroxy-4-prop-2-enoxybutanoic acid.
What is the SMILES notation for 3-hydroxy-4-prop-2-enoxybutanoic acid?
The canonical SMILES for 3-hydroxy-4-prop-2-enoxybutanoic acid is C=CCOCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-prop-2-enoxybutanoic acid?
The InChIKey is UWIGFLLNAOIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-3-11-5-6(8)4-7(9)10/h2,6,8H,1,3-5H2,(H,9,10).
What are the key properties of 3-hydroxy-4-prop-2-enoxybutanoic acid?
3-hydroxy-4-prop-2-enoxybutanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-prop-2-enoxybutanoic acid is sourced from PubChem (CID 14794986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).