2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid

C14H24O2 — CID 81020373

IUPAC2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1CC1CCCC1
InChIInChI=1S/C14H24O2/c15-14(16)13-9-3-1-2-8-12(13)10-11-6-4-5-7-11/h11-13H,1-10H2,(H,15,16)
InChIKeyQURLAUNHPMNABY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid

2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid (PubChem CID 81020373) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
PubChem CID81020373
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1CC1CCCC1
InChIInChI=1S/C14H24O2/c15-14(16)13-9-3-1-2-8-12(13)10-11-6-4-5-7-11/h11-13H,1-10H2,(H,15,16)
InChIKeyQURLAUNHPMNABY-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
CID 81008981
2-(cyclohexylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81021047
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid (CID 81020373) is 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid?
The InChIKey is QURLAUNHPMNABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-14(16)13-9-3-1-2-8-12(13)10-11-6-4-5-7-11/h11-13H,1-10H2,(H,15,16).
What are the key properties of 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid?
2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 81020373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).