3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid

C15H20N2O4 — CID 107077355

IUPAC3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
SMILESNc1cccc(C(=O)O)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H20N2O4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)(H,19,20)
InChIKeyQFWDNIDHQABHSG-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid

3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid (PubChem CID 107077355) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
PubChem CID107077355
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
SMILESNc1cccc(C(=O)O)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H20N2O4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)(H,19,20)
InChIKeyQFWDNIDHQABHSG-UHFFFAOYSA-N
XLogP1.79
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[2-(azepan-1-yl)-2-oxoethoxy]benzoic acid
CID 107077561
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 106500687
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
CID 102902341
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
3-amino-2-aminooxybenzoic acid
CID 54335840
3-amino-2-[[1-(aminomethyl)cyclopropyl]methoxy]benzoic acid
CID 117095945
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid (CID 107077355) is 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid is Nc1cccc(C(=O)O)c1OCC(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is QFWDNIDHQABHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12-8-4-7-11(15(19)20)14(12)21-9-13(18)17-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)(H,19,20).
What are the key properties of 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid?
3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 107077355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).