3-methylcyclobutane-1-carboxylic acid

C6H10O2 — CID 3044406

IUPAC3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C1
InChIInChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyZLXHOVJKNATDMT-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds1

About 3-methylcyclobutane-1-carboxylic acid

3-methylcyclobutane-1-carboxylic acid (PubChem CID 3044406) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-methylcyclobutane-1-carboxylic acid
PubChem CID3044406
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-methylcyclobutane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C1
InChIInChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyZLXHOVJKNATDMT-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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Related Compounds

3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
3-(hydroperoxymethyl)-5-methylcyclohexane-1-carboxylic acid
CID 89082364
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
1-iodo-2,3,4-trimethylbenzene;bis(3-methylcyclobutane-1-carboxylic acid)
CID 175967133
trans-(1S,3S)-3-methyl-5-oxocyclohexane-1-carboxylic acid
CID 124706942
(1R,3S,4S)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 135389555
(1S,3S,4R)-3-hydroxy-4-methylcyclopentane-1-carboxylic acid
CID 160545951
3-methyl-5-(4-oxobutyl)cyclohexane-1-carboxylic acid
CID 174958077
3-methyl-5-methylidenecyclohexane-1-carboxylic acid
CID 123924101
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
CID 173230624
CID 173230624

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutane-1-carboxylic acid?
The IUPAC name of 3-methylcyclobutane-1-carboxylic acid (CID 3044406) is 3-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for 3-methylcyclobutane-1-carboxylic acid is CC1CC(C(=O)O)C1.
What is the InChIKey of 3-methylcyclobutane-1-carboxylic acid?
The InChIKey is ZLXHOVJKNATDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-2-5(3-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 3-methylcyclobutane-1-carboxylic acid?
3-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 3-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 3044406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).