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

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Related Compounds

6-((Isononoyl)amino)hexanoic acid
CID 166214
4-[(Acetylamino)methyl]cyclohexanecarboxylic acid
CID 82653
2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
2-Cyclohexyl-2-(cyclopropylformamido)acetic acid
CID 61013571
cis-(1R,2S)-2-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 45484546
2-[(Isopropylamino)carbonyl]cyclohexanecarboxylic acid
CID 2788077
3-Methyl-2-[(4-propylcyclohexanecarbonyl)amino]butanoic acid
CID 5114469
2-Acetamido-2-cyclohexylacetic acid
CID 9794212
3-Cyclohexyl-2-acetamidopropanoic acid
CID 10965857
(2S)-3-cyclohexyl-2-acetamidopropanoic acid
CID 54153509
(2S)-2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid
CID 73909773

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).