2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid

C15H20N2O4 — CID 115411606

IUPAC2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-11-5-6-12(15(19)20)13(8-11)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMIAGOWGFEUTQPS-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.85
Rot. Bonds4

About 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid

2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid (PubChem CID 115411606) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
PubChem CID115411606
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-11-5-6-12(15(19)20)13(8-11)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyMIAGOWGFEUTQPS-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411151
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
2-[2-[2-(cyclobutanecarbonylamino)-5-methoxyanilino]-2-oxoethyl]benzoic acid
CID 56762767

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid (CID 115411606) is 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
The InChIKey is MIAGOWGFEUTQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-11-5-6-12(15(19)20)13(8-11)17-14(18)9-3-2-4-10(16)7-9/h5-6,8-10H,2-4,7,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid?
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 115411606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).