2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid

C13H21NO3 — CID 115150956

IUPAC2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)NC2CCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12(16)8-9-4-6-10(7-5-9)13(17)14-11-2-1-3-11/h9-11H,1-8H2,(H,14,17)(H,15,16)
InChIKeyWTBBFYPSZFXCPC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid

2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid (PubChem CID 115150956) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
PubChem CID115150956
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C(=O)NC2CCC2)CC1
InChIInChI=1S/C13H21NO3/c15-12(16)8-9-4-6-10(7-5-9)13(17)14-11-2-1-3-11/h9-11H,1-8H2,(H,14,17)(H,15,16)
InChIKeyWTBBFYPSZFXCPC-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic 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-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
CID 119178723
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclopentylcyclobutanecarboxamide
CID 21158774
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
2-[4-(3-cyclobutylpropanoylamino)cyclohexyl]acetic acid
CID 116817195
ethyl 2-[4-(cyclopropanecarbonylamino)cyclohexyl]acetate
CID 121439164
N-(5-cycloheptylcyclooctyl)cycloheptanecarboxamide
CID 166761294
N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 138492356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid (CID 115150956) is 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid is O=C(O)CC1CCC(C(=O)NC2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid?
The InChIKey is WTBBFYPSZFXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(16)8-9-4-6-10(7-5-9)13(17)14-11-2-1-3-11/h9-11H,1-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid?
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid has a molecular weight of 239.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid is sourced from PubChem (CID 115150956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).