1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid

C13H20O4 — CID 19091044

IUPAC1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C13H20O4/c14-10(15)12(5-1-2-6-12)9-13(11(16)17)7-3-4-8-13/h1-9H2,(H,14,15)(H,16,17)
InChIKeyPTZJBFVAFIWXSY-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.67
Rot. Bonds4

About 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid

1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 19091044) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID19091044
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CC2(C(=O)O)CCCC2)CCCC1
InChIInChI=1S/C13H20O4/c14-10(15)12(5-1-2-6-12)9-13(11(16)17)7-3-4-8-13/h1-9H2,(H,14,15)(H,16,17)
InChIKeyPTZJBFVAFIWXSY-UHFFFAOYSA-N
XLogP2.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
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1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid
CID 163757949
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
1-(fluoromethyl)cycloheptane-1-carboxylic acid
CID 84766672
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
CID 79425246

Frequently Asked Questions

What is the IUPAC name of 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid (CID 19091044) is 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CC2(C(=O)O)CCCC2)CCCC1.
What is the InChIKey of 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PTZJBFVAFIWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c14-10(15)12(5-1-2-6-12)9-13(11(16)17)7-3-4-8-13/h1-9H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid?
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 19091044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).