3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid

C15H20N2O4 — CID 63744800

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-5-10(13(18)19)9-11(12)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)
InChIKeyVNPQWMBDMYYQTC-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.99
Rot. Bonds4

About 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid

3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid (PubChem CID 63744800) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
PubChem CID63744800
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-6-5-10(13(18)19)9-11(12)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)
InChIKeyVNPQWMBDMYYQTC-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 ≤ 500292.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
4-methoxy-3-[(2-methylthiolane-2-carbonyl)amino]benzoic acid
CID 81452306
3-[(1-aminocyclobutanecarbonyl)amino]-4-bromobenzoic acid
CID 107813502
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid (CID 63744800) is 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)C1(N)CCCCC1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is VNPQWMBDMYYQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-6-5-10(13(18)19)9-11(12)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 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 292.33 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 3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 63744800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).