1-methylcyclobutane-1-carboxylic acid

C6H10O2 — CID 12757488

IUPAC1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1
InChIInChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyGCZGQVRHZLOCDD-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.26
Rot. Bonds1

About 1-methylcyclobutane-1-carboxylic acid

1-methylcyclobutane-1-carboxylic acid (PubChem CID 12757488) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-methylcyclobutane-1-carboxylic acid
PubChem CID12757488
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-methylcyclobutane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC1
InChIInChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyGCZGQVRHZLOCDD-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-methylcyclobutane-1-carboxylic acid (CID 12757488) is 1-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-methylcyclobutane-1-carboxylic acid is CC1(C(=O)O)CCC1.
What is the InChIKey of 1-methylcyclobutane-1-carboxylic acid?
The InChIKey is GCZGQVRHZLOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 1-methylcyclobutane-1-carboxylic acid?
1-methylcyclobutane-1-carboxylic acid has a molecular weight of 114.14 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 12757488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).