2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid

C15H20N2O4 — CID 115411455

IUPAC2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyQNNKHCACEIPYRI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.99
Rot. Bonds4

About 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid

2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid (PubChem CID 115411455) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
PubChem CID115411455
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyQNNKHCACEIPYRI-UHFFFAOYSA-N
XLogP1.99
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
2-[(3-aminooxolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411627
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
2-[(1-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 61157387
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid?
The IUPAC name of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid (CID 115411455) is 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid is COc1ccc(NC(=O)C2(N)CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid?
The InChIKey is QNNKHCACEIPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-10-5-6-12(11(9-10)13(18)19)17-14(20)15(16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid?
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid is sourced from PubChem (CID 115411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).