4-(1-methoxycarbonylcyclopentyl)butanoic acid

C11H18O4 — CID 139435160

IUPAC4-(1-methoxycarbonylcyclopentyl)butanoic acid
SMILESCOC(=O)C1(CCCC(=O)O)CCCC1
InChIInChI=1S/C11H18O4/c1-15-10(14)11(6-2-3-7-11)8-4-5-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKeyBLHBJSVEWUASKF-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.97
Rot. Bonds5

About 4-(1-methoxycarbonylcyclopentyl)butanoic acid

4-(1-methoxycarbonylcyclopentyl)butanoic acid (PubChem CID 139435160) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(1-methoxycarbonylcyclopentyl)butanoic acid.

Molecular Properties

Compound Name4-(1-methoxycarbonylcyclopentyl)butanoic acid
PubChem CID139435160
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-(1-methoxycarbonylcyclopentyl)butanoic acid
SMILESCOC(=O)C1(CCCC(=O)O)CCCC1
InChIInChI=1S/C11H18O4/c1-15-10(14)11(6-2-3-7-11)8-4-5-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKeyBLHBJSVEWUASKF-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methoxycarbonylcyclohexyl)butanoic acid
CID 142915955
methyl 1-[11-(1-methoxycarbonylcyclopentyl)-6-oxoundecyl]cyclopentane-1-carboxylate
CID 137383316
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
1-(4-chlorobutyl)cyclopentane-1-carboxylic acid;1-(4-methoxybutyl)cyclopentane-1-carboxylic acid;methyl 1-(4-chlorobutyl)cyclopentane-1-carboxylate
CID 162075070
methyl 1-(2-methylsulfanylethyl)cyclohexane-1-carboxylate
CID 58815101
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
methyl 1-(iodomethyl)cyclohexane-1-carboxylate
CID 58947958
methyl 1-(acetylsulfanylmethyl)cyclohexane-1-carboxylate
CID 58947950
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
methyl 1-(2-bromoethyl)cyclopentane-1-carboxylate;methyl 1-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 158907172

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxycarbonylcyclopentyl)butanoic acid?
The IUPAC name of 4-(1-methoxycarbonylcyclopentyl)butanoic acid (CID 139435160) is 4-(1-methoxycarbonylcyclopentyl)butanoic acid.
What is the SMILES notation for 4-(1-methoxycarbonylcyclopentyl)butanoic acid?
The canonical SMILES for 4-(1-methoxycarbonylcyclopentyl)butanoic acid is COC(=O)C1(CCCC(=O)O)CCCC1.
What is the InChIKey of 4-(1-methoxycarbonylcyclopentyl)butanoic acid?
The InChIKey is BLHBJSVEWUASKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-15-10(14)11(6-2-3-7-11)8-4-5-9(12)13/h2-8H2,1H3,(H,12,13).
What are the key properties of 4-(1-methoxycarbonylcyclopentyl)butanoic acid?
4-(1-methoxycarbonylcyclopentyl)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxycarbonylcyclopentyl)butanoic acid is sourced from PubChem (CID 139435160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).