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

C15H19NO4 — CID 82760031

IUPAC2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-9-5-6-10(11(17)8-9)13(18)16-12-4-3-7-15(12,2)14(19)20/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBUIRRRMRLXLYBL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds3

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

2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760031) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760031
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO4/c1-9-5-6-10(11(17)8-9)13(18)16-12-4-3-7-15(12,2)14(19)20/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBUIRRRMRLXLYBL-UHFFFAOYSA-N
XLogP2.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765367
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(2-hydroxy-5-iodobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 107731451
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
1-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760450

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760031) is 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BUIRRRMRLXLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9-5-6-10(11(17)8-9)13(18)16-12-4-3-7-15(12,2)14(19)20/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).