4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 60810353

IUPAC4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c18-13(8-10-17-9-2-1-3-14(17)19)16-12-6-4-11(5-7-12)15(20)21/h1-3,9,11-12H,4-8,10H2,(H,16,18)(H,20,21)
InChIKeyTUSXFXQNECAQDU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.00
Rot. Bonds5

About 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid

4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 60810353) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID60810353
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c18-13(8-10-17-9-2-1-3-14(17)19)16-12-6-4-11(5-7-12)15(20)21/h1-3,9,11-12H,4-8,10H2,(H,16,18)(H,20,21)
InChIKeyTUSXFXQNECAQDU-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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Related Compounds

4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120184755
4-[[(2E)-penta-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 169607685
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
1-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43169520
4-[[(2E,4E)-hexa-2,4-dienoyl]amino]cyclohexane-1-carboxylic acid
CID 54921590
3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55146724
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
4-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808224
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808542
4-[[(E)-but-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809183
4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809197

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 60810353) is 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is TUSXFXQNECAQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(8-10-17-9-2-1-3-14(17)19)16-12-6-4-11(5-7-12)15(20)21/h1-3,9,11-12H,4-8,10H2,(H,16,18)(H,20,21).
What are the key properties of 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid?
4-[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 4-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).