2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid

C15H20N2O6 — CID 158375774

IUPAC2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(=O)NC1CCCCC1C(=O)O.O=C(O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H15NO3.C6H5NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;8-5-3-1-2-4(7-5)6(9)10/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13);1-3H,(H,7,8)(H,9,10)
InChIKeyGVECSBIEGXGCNX-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.84
Rot. Bonds3

About 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid

2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 158375774) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID158375774
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid
SMILESCC(=O)NC1CCCCC1C(=O)O.O=C(O)c1cccc(=O)[nH]1
InChIInChI=1S/C9H15NO3.C6H5NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;8-5-3-1-2-4(7-5)6(9)10/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13);1-3H,(H,7,8)(H,9,10)
InChIKeyGVECSBIEGXGCNX-UHFFFAOYSA-N
XLogP0.84
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid (CID 158375774) is 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid is CC(=O)NC1CCCCC1C(=O)O.O=C(O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is GVECSBIEGXGCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C6H5NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;8-5-3-1-2-4(7-5)6(9)10/h7-8H,2-5H2,1H3,(H,10,11)(H,12,13);1-3H,(H,7,8)(H,9,10).
What are the key properties of 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid?
2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 324.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidocyclohexane-1-carboxylic acid;6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 158375774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).