6,6-dimethylpiperidine-1,3-dicarboxylic acid

C9H15NO4 — CID 123690605

IUPAC6,6-dimethylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C)CCC(C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2)4-3-6(7(11)12)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZTNPYBBUUTZWSV-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.24
Rot. Bonds1

About 6,6-dimethylpiperidine-1,3-dicarboxylic acid

6,6-dimethylpiperidine-1,3-dicarboxylic acid (PubChem CID 123690605) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6,6-dimethylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name6,6-dimethylpiperidine-1,3-dicarboxylic acid
PubChem CID123690605
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name6,6-dimethylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C)CCC(C(=O)O)CN1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2)4-3-6(7(11)12)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZTNPYBBUUTZWSV-UHFFFAOYSA-N
XLogP1.24
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of 6,6-dimethylpiperidine-1,3-dicarboxylic acid (CID 123690605) is 6,6-dimethylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 6,6-dimethylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 6,6-dimethylpiperidine-1,3-dicarboxylic acid is CC1(C)CCC(C(=O)O)CN1C(=O)O.
What is the InChIKey of 6,6-dimethylpiperidine-1,3-dicarboxylic acid?
The InChIKey is ZTNPYBBUUTZWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2)4-3-6(7(11)12)5-10(9)8(13)14/h6H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6,6-dimethylpiperidine-1,3-dicarboxylic acid?
6,6-dimethylpiperidine-1,3-dicarboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123690605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).