2-methylbutanoic acid

C5H10O2 — CID 8314

IUPAC2-methylbutanoic acid
SMILESCCC(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyWLAMNBDJUVNPJU-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.12
Rot. Bonds2

About 2-methylbutanoic acid

2-methylbutanoic acid (PubChem CID 8314) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2-methylbutanoic acid.

Molecular Properties

Compound Name2-methylbutanoic acid
PubChem CID8314
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2-methylbutanoic acid
SMILESCCC(C)C(=O)O
InChIInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyWLAMNBDJUVNPJU-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutyric Acid
CID 6590
Butyric Acid
CID 264
Isovaleric Acid
CID 10430
3-Methyl-2-oxobutanoic acid
CID 49
Isocaproic acid
CID 12587
2-Methylvaleric acid
CID 7341
2-Ethylbutyric acid
CID 6915
3-Methylpentanoic acid
CID 7755
tert-Butylacetic acid
CID 14057
Methylsuccinic acid
CID 10349
(S)-2-methylbutanoic acid
CID 448893
2,2-Dimethylbutanoic acid
CID 11684

Frequently Asked Questions

What is the IUPAC name of 2-methylbutanoic acid?
The IUPAC name of 2-methylbutanoic acid (CID 8314) is 2-methylbutanoic acid.
What is the SMILES notation for 2-methylbutanoic acid?
The canonical SMILES for 2-methylbutanoic acid is CCC(C)C(=O)O.
What is the InChIKey of 2-methylbutanoic acid?
The InChIKey is WLAMNBDJUVNPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-methylbutanoic acid?
2-methylbutanoic acid has a molecular weight of 102.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutanoic acid is sourced from PubChem (CID 8314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).