2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 115413375

IUPAC2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-6-7-12(16)11(8-9)14(18)17-13-5-3-2-4-10(13)15(19)20/h6-8,10,13H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyBHSYHJABKUKYFQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115413375) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115413375
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-6-7-12(16)11(8-9)14(18)17-13-5-3-2-4-10(13)15(19)20/h6-8,10,13H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyBHSYHJABKUKYFQ-UHFFFAOYSA-N
XLogP1.65
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid (CID 115413375) is 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is COc1ccc(N)c(C(=O)NC2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHSYHJABKUKYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-6-7-12(16)11(8-9)14(18)17-13-5-3-2-4-10(13)15(19)20/h6-8,10,13H,2-5,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115413375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).