1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid

C11H18O3 — CID 79424868

IUPAC1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCC2)CCC1
InChIInChI=1S/C11H18O3/c12-9(13)10(4-3-5-10)8-11(14)6-1-2-7-11/h14H,1-8H2,(H,12,13)
InChIKeyOQDJWHDMJFJUDF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds3

About 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid

1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 79424868) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID79424868
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CC2(O)CCCC2)CCC1
InChIInChI=1S/C11H18O3/c12-9(13)10(4-3-5-10)8-11(14)6-1-2-7-11/h14H,1-8H2,(H,12,13)
InChIKeyOQDJWHDMJFJUDF-UHFFFAOYSA-N
XLogP1.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
4-tert-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79426221
1-[(1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 79426055
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
1-(iodomethyl)cyclobutane-1-carboxylic acid
CID 130873802
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid (CID 79424868) is 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CC2(O)CCCC2)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is OQDJWHDMJFJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-9(13)10(4-3-5-10)8-11(14)6-1-2-7-11/h14H,1-8H2,(H,12,13).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid?
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79424868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).