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

C15H25NO3 — CID 115270026

IUPAC4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyASZWKEDJWMKXMQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds3

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

4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115270026) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115270026
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyASZWKEDJWMKXMQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
chloromethane;cyclohexanecarboxylic acid
CID 160928112
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 115270026) is 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCCCC1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ASZWKEDJWMKXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-16(14(17)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(18)19/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid?
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115270026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).