4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H19NO3 — CID 60808371

IUPAC4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19NO3/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(7-9-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZKUALKOLTVYGA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds3

About 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808371) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808371
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19NO3/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(7-9-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWZKUALKOLTVYGA-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
cis-(1S,3R)-3-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676661
3-[(3-methyl-2-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66033111
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119180811

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 60808371) is 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1ccccc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WZKUALKOLTVYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(7-9-12)15(18)19/h2-5,11-12H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).