3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 63044196

IUPAC3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c18-13(7-9-17-8-2-1-6-14(17)19)16-12-5-3-4-11(10-12)15(20)21/h1-2,6,8,11-12H,3-5,7,9-10H2,(H,16,18)(H,20,21)
InChIKeyOOEMMRYBLYAUAF-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.00
Rot. Bonds5

About 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid

3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63044196) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID63044196
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c18-13(7-9-17-8-2-1-6-14(17)19)16-12-5-3-4-11(10-12)15(20)21/h1-2,6,8,11-12H,3-5,7,9-10H2,(H,16,18)(H,20,21)
InChIKeyOOEMMRYBLYAUAF-UHFFFAOYSA-N
XLogP1.00
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 63044196) is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OOEMMRYBLYAUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(7-9-17-8-2-1-6-14(17)19)16-12-5-3-4-11(10-12)15(20)21/h1-2,6,8,11-12H,3-5,7,9-10H2,(H,16,18)(H,20,21).
What are the key properties of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).