4-(1-methoxycarbonylcyclohexyl)butanoic acid

C12H20O4 — CID 142915955

IUPAC4-(1-methoxycarbonylcyclohexyl)butanoic acid
SMILESCOC(=O)C1(CCCC(=O)O)CCCCC1
InChIInChI=1S/C12H20O4/c1-16-11(15)12(7-3-2-4-8-12)9-5-6-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyYWIYSFLSJAPZJL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.36
Rot. Bonds5

About 4-(1-methoxycarbonylcyclohexyl)butanoic acid

4-(1-methoxycarbonylcyclohexyl)butanoic acid (PubChem CID 142915955) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(1-methoxycarbonylcyclohexyl)butanoic acid.

Molecular Properties

Compound Name4-(1-methoxycarbonylcyclohexyl)butanoic acid
PubChem CID142915955
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name4-(1-methoxycarbonylcyclohexyl)butanoic acid
SMILESCOC(=O)C1(CCCC(=O)O)CCCCC1
InChIInChI=1S/C12H20O4/c1-16-11(15)12(7-3-2-4-8-12)9-5-6-10(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyYWIYSFLSJAPZJL-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methoxycarbonylcyclohexyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methoxycarbonylcyclopentyl)butanoic acid
CID 139435160
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
methyl 1-[11-(1-methoxycarbonylcyclopentyl)-6-oxoundecyl]cyclopentane-1-carboxylate
CID 137383316
methyl 1-(2-methylsulfanylethyl)cyclohexane-1-carboxylate
CID 58815101
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
methyl 1-(iodomethyl)cyclohexane-1-carboxylate
CID 58947958
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-(acetylsulfanylmethyl)cyclohexane-1-carboxylate
CID 58947950
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
(1-methoxycarbonylcyclohexyl)methanesulfinic acid
CID 165454849

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxycarbonylcyclohexyl)butanoic acid?
The IUPAC name of 4-(1-methoxycarbonylcyclohexyl)butanoic acid (CID 142915955) is 4-(1-methoxycarbonylcyclohexyl)butanoic acid.
What is the SMILES notation for 4-(1-methoxycarbonylcyclohexyl)butanoic acid?
The canonical SMILES for 4-(1-methoxycarbonylcyclohexyl)butanoic acid is COC(=O)C1(CCCC(=O)O)CCCCC1.
What is the InChIKey of 4-(1-methoxycarbonylcyclohexyl)butanoic acid?
The InChIKey is YWIYSFLSJAPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-16-11(15)12(7-3-2-4-8-12)9-5-6-10(13)14/h2-9H2,1H3,(H,13,14).
What are the key properties of 4-(1-methoxycarbonylcyclohexyl)butanoic acid?
4-(1-methoxycarbonylcyclohexyl)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxycarbonylcyclohexyl)butanoic acid is sourced from PubChem (CID 142915955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).