piperidine-2-carboxylic acid

C6H11NO2 — CID 849

IUPACpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.21
Rot. Bonds1

About piperidine-2-carboxylic acid

piperidine-2-carboxylic acid (PubChem CID 849) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is piperidine-2-carboxylic acid.

Molecular Properties

Compound Namepiperidine-2-carboxylic acid
PubChem CID849
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
InChIKeyHXEACLLIILLPRG-UHFFFAOYSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidine-2-carboxylic acid?
The IUPAC name of piperidine-2-carboxylic acid (CID 849) is piperidine-2-carboxylic acid.
What is the SMILES notation for piperidine-2-carboxylic acid?
The canonical SMILES for piperidine-2-carboxylic acid is O=C(O)C1CCCCN1.
What is the InChIKey of piperidine-2-carboxylic acid?
The InChIKey is HXEACLLIILLPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of piperidine-2-carboxylic acid?
piperidine-2-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carboxylic acid is sourced from PubChem (CID 849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).