1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid

C16H21NO3 — CID 43341683

IUPAC1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H21NO3/c1-12-8-4-5-9-13(12)14(18)17-16(15(19)20)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPBIHDROLWXVQP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.90
Rot. Bonds3

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

1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341683) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341683
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H21NO3/c1-12-8-4-5-9-13(12)14(18)17-16(15(19)20)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPBIHDROLWXVQP-UHFFFAOYSA-N
XLogP2.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[(2-methyl-5-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 75460812
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163710
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
N-(1-benzoylcyclohexyl)-3-methoxy-2-methylbenzamide
CID 10066548
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
CID 1494005

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid (CID 43341683) is 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid is Cc1ccccc1C(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is RPBIHDROLWXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-8-4-5-9-13(12)14(18)17-16(15(19)20)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid?
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).