4,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C8H13NO3 — CID 84654076

IUPAC4,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1(C)CC(=O)NCC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-8(2)3-6(10)9-4-5(8)7(11)12/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeySRTZZSUHIXEGIN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.23
Rot. Bonds1

About 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid

4,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 84654076) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID84654076
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1(C)CC(=O)NCC1C(=O)O
InChIInChI=1S/C8H13NO3/c1-8(2)3-6(10)9-4-5(8)7(11)12/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeySRTZZSUHIXEGIN-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 84654076) is 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CC1(C)CC(=O)NCC1C(=O)O.
What is the InChIKey of 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is SRTZZSUHIXEGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2)3-6(10)9-4-5(8)7(11)12/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
4,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 84654076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).