4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid

C18H23ClN2O3 — CID 122015655

IUPAC4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C18H23ClN2O3/c19-16-4-2-1-3-15(16)12-9-14(10-12)21-18(24)20-13-7-5-11(6-8-13)17(22)23/h1-4,11-14H,5-10H2,(H,22,23)(H2,20,21,24)
InChIKeyYAXZIWXXRGPYAQ-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.53
Rot. Bonds4

About 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122015655) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122015655
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C18H23ClN2O3/c19-16-4-2-1-3-15(16)12-9-14(10-12)21-18(24)20-13-7-5-11(6-8-13)17(22)23/h1-4,11-14H,5-10H2,(H,22,23)(H2,20,21,24)
InChIKeyYAXZIWXXRGPYAQ-UHFFFAOYSA-N
XLogP3.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007144
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014713
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
4-[(3-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 155955393
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122015655) is 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YAXZIWXXRGPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-16-4-2-1-3-15(16)12-9-14(10-12)21-18(24)20-13-7-5-11(6-8-13)17(22)23/h1-4,11-14H,5-10H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 350.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122015655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).