2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid

C9H15NO3 — CID 83636455

IUPAC2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(=O)N1
InChIInChI=1S/C9H15NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQXFGYIHWNBEEGG-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds2

About 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid

2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 83636455) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID83636455
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(=O)N1
InChIInChI=1S/C9H15NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQXFGYIHWNBEEGG-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid (CID 83636455) is 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid is CC(C)C1CCC(C(=O)O)C(=O)N1.
What is the InChIKey of 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is QXFGYIHWNBEEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(2)7-4-3-6(9(12)13)8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid?
2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83636455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).