2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid

C15H22N2O3 — CID 82907482

IUPAC2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1CNCCn1ccccc1=O
InChIInChI=1S/C15H22N2O3/c18-14-7-3-4-9-17(14)10-8-16-11-12-5-1-2-6-13(12)15(19)20/h3-4,7,9,12-13,16H,1-2,5-6,8,10-11H2,(H,19,20)
InChIKeyAXAJKBLKOLIYRF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds6

About 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid

2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 82907482) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID82907482
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1CNCCn1ccccc1=O
InChIInChI=1S/C15H22N2O3/c18-14-7-3-4-9-17(14)10-8-16-11-12-5-1-2-6-13(12)15(19)20/h3-4,7,9,12-13,16H,1-2,5-6,8,10-11H2,(H,19,20)
InChIKeyAXAJKBLKOLIYRF-UHFFFAOYSA-N
XLogP1.33
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid (CID 82907482) is 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1CNCCn1ccccc1=O.
What is the InChIKey of 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AXAJKBLKOLIYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-7-3-4-9-17(14)10-8-16-11-12-5-1-2-6-13(12)15(19)20/h3-4,7,9,12-13,16H,1-2,5-6,8,10-11H2,(H,19,20).
What are the key properties of 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid?
2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-1-pyridinyl)ethylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82907482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).