2,3-dimethylpiperidine-4-carboxylic acid

C8H15NO2 — CID 83914155

IUPAC2,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1NCCC(C(=O)O)C1C
InChIInChI=1S/C8H15NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyUSWMKFHAXZTYSK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds1

About 2,3-dimethylpiperidine-4-carboxylic acid

2,3-dimethylpiperidine-4-carboxylic acid (PubChem CID 83914155) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2,3-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethylpiperidine-4-carboxylic acid
PubChem CID83914155
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1NCCC(C(=O)O)C1C
InChIInChI=1S/C8H15NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyUSWMKFHAXZTYSK-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 2,3-dimethylpiperidine-4-carboxylic acid (CID 83914155) is 2,3-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2,3-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 2,3-dimethylpiperidine-4-carboxylic acid is CC1NCCC(C(=O)O)C1C.
What is the InChIKey of 2,3-dimethylpiperidine-4-carboxylic acid?
The InChIKey is USWMKFHAXZTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2,3-dimethylpiperidine-4-carboxylic acid?
2,3-dimethylpiperidine-4-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83914155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).