(2S)-piperidin-1-ium-2-carboxylate

C6H11NO2 — CID 6931663

IUPAC(2S)-piperidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyHXEACLLIILLPRG-YFKPBYRVSA-N
MW129.16 g/mol
LogP-2.15
Rot. Bonds1

About (2S)-piperidin-1-ium-2-carboxylate

(2S)-piperidin-1-ium-2-carboxylate (PubChem CID 6931663) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-piperidin-1-ium-2-carboxylate.

Molecular Properties

Compound Name(2S)-piperidin-1-ium-2-carboxylate
PubChem CID6931663
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-piperidin-1-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyHXEACLLIILLPRG-YFKPBYRVSA-N
XLogP-2.15
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-piperidin-1-ium-2-carboxylate 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 (2S)-piperidin-1-ium-2-carboxylate?
The IUPAC name of (2S)-piperidin-1-ium-2-carboxylate (CID 6931663) is (2S)-piperidin-1-ium-2-carboxylate.
What is the SMILES notation for (2S)-piperidin-1-ium-2-carboxylate?
The canonical SMILES for (2S)-piperidin-1-ium-2-carboxylate is O=C([O-])[C@@H]1CCCC[NH2+]1.
What is the InChIKey of (2S)-piperidin-1-ium-2-carboxylate?
The InChIKey is HXEACLLIILLPRG-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (2S)-piperidin-1-ium-2-carboxylate?
(2S)-piperidin-1-ium-2-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-piperidin-1-ium-2-carboxylate is sourced from PubChem (CID 6931663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).