4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid

C15H25NO3 — CID 115277300

IUPAC4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCC1CCC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(14(17)10-5-11-3-2-4-11)13-8-6-12(7-9-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyTXUQABZBVPOYPI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds5

About 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid

4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115277300) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115277300
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCC1CCC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(14(17)10-5-11-3-2-4-11)13-8-6-12(7-9-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyTXUQABZBVPOYPI-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Dimethylamino)cyclohexane-1-carboxylic acid hydrochloride
CID 68452337
4-Cyclopentaneamidocyclohexane-1-carboxylic acid
CID 21572331
4-(2-Cyclopentylacetamido)cyclohexane-1-carboxylic acid
CID 47003024
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893
trans-4-(Dimethylamino)cyclohexanecarboxylic acid
CID 14876726
4-(Dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
CID 146451362
4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 153044440
4-[Butyl(2-fluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 176663350
4-[(3,3-Difluorocyclobutanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 120185375
4-(3-(Fluoromethyl)azetidin-1-yl)cyclohexane-1-carboxylic acid
CID 121201648
4-(N-ethyl-2,2,2-trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 165920176

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 115277300) is 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)CCC1CCC1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is TXUQABZBVPOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16(14(17)10-5-11-3-2-4-11)13-8-6-12(7-9-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid?
4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclobutylpropanoyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115277300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).