2-hydroxybutanoic acid

C4H8O3 — CID 11266

IUPAC2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O
InChIInChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKeyAFENDNXGAFYKQO-UHFFFAOYSA-N
MW104.10 g/mol
LogP-0.16
Rot. Bonds2

About 2-hydroxybutanoic acid

2-hydroxybutanoic acid (PubChem CID 11266) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is 2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-hydroxybutanoic acid
PubChem CID11266
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Name2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O
InChIInChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKeyAFENDNXGAFYKQO-UHFFFAOYSA-N
XLogP-0.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
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 2-hydroxybutanoic acid?
The IUPAC name of 2-hydroxybutanoic acid (CID 11266) is 2-hydroxybutanoic acid.
What is the SMILES notation for 2-hydroxybutanoic acid?
The canonical SMILES for 2-hydroxybutanoic acid is CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanoic acid?
The InChIKey is AFENDNXGAFYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7).
What are the key properties of 2-hydroxybutanoic acid?
2-hydroxybutanoic acid has a molecular weight of 104.10 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanoic acid is sourced from PubChem (CID 11266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).