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

C15H19NO5 — CID 82765367

IUPAC2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO5/c1-15(14(19)20)7-3-4-12(15)16-13(18)10-6-5-9(21-2)8-11(10)17/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJRHKMVRQNIGIQT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.77
Rot. Bonds4

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

2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82765367) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82765367
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1
InChIInChI=1S/C15H19NO5/c1-15(14(19)20)7-3-4-12(15)16-13(18)10-6-5-9(21-2)8-11(10)17/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyJRHKMVRQNIGIQT-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
N-(3,3-dimethylcyclopentyl)-2-hydroxy-4-methoxybenzamide
CID 115881718
N-(3-amino-2,2-dimethylcyclobutyl)-2-hydroxy-4-methoxybenzamide
CID 114632319
2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760189
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82765367) is 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is COc1ccc(C(=O)NC2CCCC2(C)C(=O)O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JRHKMVRQNIGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(14(19)20)7-3-4-12(15)16-13(18)10-6-5-9(21-2)8-11(10)17/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-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).