2-methylpropanoic acid

C4H8O2 — CID 6590

IUPAC2-methylpropanoic acid
SMILESCC(C)C(=O)O
InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKeyKQNPFQTWMSNSAP-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.73
Rot. Bonds1

About 2-methylpropanoic acid

2-methylpropanoic acid (PubChem CID 6590) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-methylpropanoic acid.

Molecular Properties

Compound Name2-methylpropanoic acid
PubChem CID6590
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name2-methylpropanoic acid
SMILESCC(C)C(=O)O
InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKeyKQNPFQTWMSNSAP-UHFFFAOYSA-N
XLogP0.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid?
The IUPAC name of 2-methylpropanoic acid (CID 6590) is 2-methylpropanoic acid.
What is the SMILES notation for 2-methylpropanoic acid?
The canonical SMILES for 2-methylpropanoic acid is CC(C)C(=O)O.
What is the InChIKey of 2-methylpropanoic acid?
The InChIKey is KQNPFQTWMSNSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid?
2-methylpropanoic acid has a molecular weight of 88.11 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid is sourced from PubChem (CID 6590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).