lithium (2S)-pyrrolidine-2-carboxylate

C5H8LiNO2 — CID 23691818

IUPAClithium (2S)-pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1.[Li+]
InChIInChI=1S/C5H9NO2.Li/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyPZCAQVGTBUZQFL-WCCKRBBISA-M
MW121.07 g/mol
LogP-4.51
Rot. Bonds1

About lithium (2S)-pyrrolidine-2-carboxylate

lithium (2S)-pyrrolidine-2-carboxylate (PubChem CID 23691818) has the molecular formula C5H8LiNO2 and a molecular weight of 121.07 g/mol. Its IUPAC name is lithium (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namelithium (2S)-pyrrolidine-2-carboxylate
PubChem CID23691818
Molecular FormulaC5H8LiNO2
Molecular Weight121.07 g/mol
Exact Mass121.07
IUPAC Namelithium (2S)-pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@@H]1CCCN1.[Li+]
InChIInChI=1S/C5H9NO2.Li/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyPZCAQVGTBUZQFL-WCCKRBBISA-M
XLogP-4.51
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.07
LogP ≤ 5-4.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dilithium bis((2S)-pyrrolidine-2-carboxylate)
CID 169095564
potassium (2S)-pyrrolidine-2-carboxylate
CID 23681229
copper (2S)-pyrrolidine-2-carboxylate
CID 172711249
azanium (2S)-pyrrolidine-2-carboxylate
CID 141355095
sodium (2S)-piperidine-2-carboxylate
CID 23691892
(2S)-pyrrolidine-2-carboxylate;tetrapropylazanium
CID 24866401
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(213C)azolidine-2-carboxylic acid
CID 10290769
tetrakis(2-hydroxyethyl(trimethyl)azanium);(2S)-pyrrolidine-2-carboxylate;phosphate
CID 176895346

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of lithium (2S)-pyrrolidine-2-carboxylate (CID 23691818) is lithium (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for lithium (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for lithium (2S)-pyrrolidine-2-carboxylate is O=C([O-])[C@@H]1CCCN1.[Li+].
What is the InChIKey of lithium (2S)-pyrrolidine-2-carboxylate?
The InChIKey is PZCAQVGTBUZQFL-WCCKRBBISA-M. The full InChI is InChI=1S/C5H9NO2.Li/c7-5(8)4-2-1-3-6-4;/h4,6H,1-3H2,(H,7,8);/q;+1/p-1/t4-;/m0./s1.
What are the key properties of lithium (2S)-pyrrolidine-2-carboxylate?
lithium (2S)-pyrrolidine-2-carboxylate has a molecular weight of 121.07 g/mol, XLogP of -4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 23691818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).