2-methylcyclobutane-1-carboxylic acid

C6H10O2 — CID 13214071

IUPAC2-methylcyclobutane-1-carboxylic acid
SMILESCC1CCC1C(=O)O
InChIInChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyZQUWTFVQYAVBJZ-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds1

About 2-methylcyclobutane-1-carboxylic acid

2-methylcyclobutane-1-carboxylic acid (PubChem CID 13214071) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-methylcyclobutane-1-carboxylic acid
PubChem CID13214071
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methylcyclobutane-1-carboxylic acid
SMILESCC1CCC1C(=O)O
InChIInChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyZQUWTFVQYAVBJZ-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-methylcyclobutane-1-carboxylic acid (CID 13214071) is 2-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-methylcyclobutane-1-carboxylic acid is CC1CCC1C(=O)O.
What is the InChIKey of 2-methylcyclobutane-1-carboxylic acid?
The InChIKey is ZQUWTFVQYAVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-methylcyclobutane-1-carboxylic acid?
2-methylcyclobutane-1-carboxylic acid has a molecular weight of 114.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 13214071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).