4-hydroxybutanoic acid

C4H8O3 — CID 10413

IUPAC4-hydroxybutanoic acid
SMILESO=C(O)CCCO
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
InChIKeySJZRECIVHVDYJC-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.16
Rot. Bonds3

About 4-hydroxybutanoic acid

4-hydroxybutanoic acid (PubChem CID 10413) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-hydroxybutanoic acid
PubChem CID10413
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name4-hydroxybutanoic acid
SMILESO=C(O)CCCO
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
InChIKeySJZRECIVHVDYJC-UHFFFAOYSA-N
XLogP-0.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutanoic acid?
The IUPAC name of 4-hydroxybutanoic acid (CID 10413) is 4-hydroxybutanoic acid.
What is the SMILES notation for 4-hydroxybutanoic acid?
The canonical SMILES for 4-hydroxybutanoic acid is O=C(O)CCCO.
What is the InChIKey of 4-hydroxybutanoic acid?
The InChIKey is SJZRECIVHVDYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7).
What are the key properties of 4-hydroxybutanoic acid?
4-hydroxybutanoic acid has a molecular weight of 104.11 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutanoic acid is sourced from PubChem (CID 10413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).