butanoic acid

C4H8O2 — CID 264

IUPACbutanoic acid
SMILESCCCC(=O)O
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.87
Rot. Bonds2

About butanoic acid

butanoic acid (PubChem CID 264) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is butanoic acid.

Molecular Properties

Compound Namebutanoic acid
PubChem CID264
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namebutanoic acid
SMILESCCCC(=O)O
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentanoic Acid
CID 7991
Isovaleric Acid
CID 10430
2-Methylbutanoic Acid
CID 8314
tert-Butylacetic acid
CID 14057
(S)-2-methylbutanoic acid
CID 448893
2,2-Dimethylbutanoic acid
CID 11684
(2R)-2-methylbutanoic acid
CID 6950479
2,3-Dimethylbutanoic acid
CID 26608
2-Fluorobutanoic acid
CID 9898
Butyric-d7 acid
CID 12216213
2,3-Dimethylbutanoic acid, (2S)-
CID 642234
4-Hexynoic acid
CID 4424116

Frequently Asked Questions

What is the IUPAC name of butanoic acid?
The IUPAC name of butanoic acid (CID 264) is butanoic acid.
What is the SMILES notation for butanoic acid?
The canonical SMILES for butanoic acid is CCCC(=O)O.
What is the InChIKey of butanoic acid?
The InChIKey is FERIUCNNQQJTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid?
butanoic acid has a molecular weight of 88.11 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid is sourced from PubChem (CID 264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).