sodium (2S)-piperidine-2-carboxylate

C6H10NNaO2 — CID 23691892

IUPACsodium (2S)-piperidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCCN1.[Na+]
InChIInChI=1S/C6H11NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyMGMCVAQFXGNFAQ-JEDNCBNOSA-M
MW151.14 g/mol
LogP-4.12
Rot. Bonds1

About sodium (2S)-piperidine-2-carboxylate

sodium (2S)-piperidine-2-carboxylate (PubChem CID 23691892) has the molecular formula C6H10NNaO2 and a molecular weight of 151.14 g/mol. Its IUPAC name is sodium (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Namesodium (2S)-piperidine-2-carboxylate
PubChem CID23691892
Molecular FormulaC6H10NNaO2
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Namesodium (2S)-piperidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCCN1.[Na+]
InChIInChI=1S/C6H11NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyMGMCVAQFXGNFAQ-JEDNCBNOSA-M
XLogP-4.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium (2S)-piperidine-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

Related Compounds

potassium (2S)-pyrrolidine-2-carboxylate
CID 23681229
copper (2S)-pyrrolidine-2-carboxylate
CID 172711249
lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818
dilithium bis((2S)-pyrrolidine-2-carboxylate)
CID 169095564
azanium (2S)-pyrrolidine-2-carboxylate
CID 141355095
bis[(2S)-piperidin-2-yl]methanone
CID 174971247
N-(piperidine-2-carbonylimino)piperidine-2-carboxamide
CID 14446535
(2R)-piperidine-2-carboxylic acid
CID 10725378
azacyclohenicosane-2-carboxylic acid
CID 22341743
(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
CID 24866401
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-piperidine-2-carboxylate?
The IUPAC name of sodium (2S)-piperidine-2-carboxylate (CID 23691892) is sodium (2S)-piperidine-2-carboxylate.
What is the SMILES notation for sodium (2S)-piperidine-2-carboxylate?
The canonical SMILES for sodium (2S)-piperidine-2-carboxylate is O=C([O-])[C@@H]1CCCCN1.[Na+].
What is the InChIKey of sodium (2S)-piperidine-2-carboxylate?
The InChIKey is MGMCVAQFXGNFAQ-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H11NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1/t5-;/m0./s1.
What are the key properties of sodium (2S)-piperidine-2-carboxylate?
sodium (2S)-piperidine-2-carboxylate has a molecular weight of 151.14 g/mol, XLogP of -4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 23691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).