2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid

C12H20O2 — CID 130578625

IUPAC2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid
SMILESCC1(CC2CCC2C(=O)O)CCCC1
InChIInChI=1S/C12H20O2/c1-12(6-2-3-7-12)8-9-4-5-10(9)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyADFVLRYZLZGYER-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid

2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 130578625) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID130578625
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid
SMILESCC1(CC2CCC2C(=O)O)CCCC1
InChIInChI=1S/C12H20O2/c1-12(6-2-3-7-12)8-9-4-5-10(9)11(13)14/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyADFVLRYZLZGYER-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid (CID 130578625) is 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid is CC1(CC2CCC2C(=O)O)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ADFVLRYZLZGYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(6-2-3-7-12)8-9-4-5-10(9)11(13)14/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid?
2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130578625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).