2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid

C11H19NO3 — CID 66598508

IUPAC2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid
SMILESCC1C(=O)CCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-7-8(13)5-6-12(10(14)15)9(7)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyZPHFOEOXNQZSEO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.99
Rot. Bonds

About 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid

2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid (PubChem CID 66598508) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid
PubChem CID66598508
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid
SMILESCC1C(=O)CCN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-7-8(13)5-6-12(10(14)15)9(7)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15)
InChIKeyZPHFOEOXNQZSEO-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid (CID 66598508) is 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid is CC1C(=O)CCN(C(=O)O)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid?
The InChIKey is ZPHFOEOXNQZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-8(13)5-6-12(10(14)15)9(7)11(2,3)4/h7,9H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid?
2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 66598508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).