1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

C16H21NO4 — CID 43341402

IUPAC1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CCC(C)CC2)c1O
InChIInChI=1S/C16H21NO4/c1-10-6-8-16(9-7-10,15(20)21)17-14(19)12-5-3-4-11(2)13(12)18/h3-5,10,18H,6-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOZWYEJKRKAKJOC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43341402) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43341402
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2(C(=O)O)CCC(C)CC2)c1O
InChIInChI=1S/C16H21NO4/c1-10-6-8-16(9-7-10,15(20)21)17-14(19)12-5-3-4-11(2)13(12)18/h3-5,10,18H,6-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOZWYEJKRKAKJOC-UHFFFAOYSA-N
XLogP2.46
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163129

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43341402) is 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is Cc1cccc(C(=O)NC2(C(=O)O)CCC(C)CC2)c1O.
What is the InChIKey of 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is OZWYEJKRKAKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-6-8-16(9-7-10,15(20)21)17-14(19)12-5-3-4-11(2)13(12)18/h3-5,10,18H,6-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).