4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid

C11H12N2O2 — CID 118270524

IUPAC4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid
SMILESNc1ccc2c(c1)C1CCC2N1C(=O)O
InChIInChI=1S/C11H12N2O2/c12-6-1-2-7-8(5-6)10-4-3-9(7)13(10)11(14)15/h1-2,5,9-10H,3-4,12H2,(H,14,15)
InChIKeyOLJRQXYGTJUWGQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.14
Rot. Bonds

About 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid

4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid (PubChem CID 118270524) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid.

Molecular Properties

Compound Name4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid
PubChem CID118270524
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid
SMILESNc1ccc2c(c1)C1CCC2N1C(=O)O
InChIInChI=1S/C11H12N2O2/c12-6-1-2-7-8(5-6)10-4-3-9(7)13(10)11(14)15/h1-2,5,9-10H,3-4,12H2,(H,14,15)
InChIKeyOLJRQXYGTJUWGQ-UHFFFAOYSA-N
XLogP2.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-12-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxylic acid
CID 122652860
tert-butyl 4-amino-12-azatetracyclo[6.3.1.02,7.010,12]dodeca-2(7),3,5-triene-10-carboxylate
CID 143492527
2-(5-amino-2-cyclopropylsulfanylphenyl)pyrrolidine-1-carboxylic acid
CID 68508718
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
CID 105474225
2-(4-amino-2-fluorophenyl)piperazine-1-carboxylic acid
CID 157205179
4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 175516280
(2R,3S)-2-(5-amino-2-ethylsulfonylphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 141196767
4-amino-2-cyclohexylphenol
CID 4606632
(2R,3S)-2-(5-amino-2-propan-2-ylsulfonylphenyl)pyrrolidine-1,3-dicarboxylic acid
CID 141196761
4-cycloheptyl-3-cyclooctylaniline
CID 170224279
2-[4-(4-amino-2-methylphenyl)piperidin-1-yl]acetamide
CID 57416139

Frequently Asked Questions

What is the IUPAC name of 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid?
The IUPAC name of 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid (CID 118270524) is 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid.
What is the SMILES notation for 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid?
The canonical SMILES for 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid is Nc1ccc2c(c1)C1CCC2N1C(=O)O.
What is the InChIKey of 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid?
The InChIKey is OLJRQXYGTJUWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-1-2-7-8(5-6)10-4-3-9(7)13(10)11(14)15/h1-2,5,9-10H,3-4,12H2,(H,14,15).
What are the key properties of 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid?
4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-11-carboxylic acid is sourced from PubChem (CID 118270524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).