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

C15H20N2O4 — CID 43169520

IUPAC1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O4/c18-12(7-11-17-10-5-2-6-13(17)19)16-15(14(20)21)8-3-1-4-9-15/h2,5-6,10H,1,3-4,7-9,11H2,(H,16,18)(H,20,21)
InChIKeyWBVUDHGKSWKDCK-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.14
Rot. Bonds5

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

1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 43169520) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID43169520
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O4/c18-12(7-11-17-10-5-2-6-13(17)19)16-15(14(20)21)8-3-1-4-9-15/h2,5-6,10H,1,3-4,7-9,11H2,(H,16,18)(H,20,21)
InChIKeyWBVUDHGKSWKDCK-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 43169520) is 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WBVUDHGKSWKDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-12(7-11-17-10-5-2-6-13(17)19)16-15(14(20)21)8-3-1-4-9-15/h2,5-6,10H,1,3-4,7-9,11H2,(H,16,18)(H,20,21).
What are the key properties of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43169520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).