dilithium bis((2S)-pyrrolidine-2-carboxylate)

C10H16Li2N2O4 — CID 169095564

IUPACdilithium bis((2S)-pyrrolidine-2-carboxylate)
SMILESO=C([O-])[C@@H]1CCCN1.O=C([O-])[C@@H]1CCCN1.[Li+].[Li+]
InChIInChI=1S/2C5H9NO2.2Li/c2*7-5(8)4-2-1-3-6-4;;/h2*4,6H,1-3H2,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1
InChIKeyWXPNWMGPIIJSTI-UCQVOLLVSA-L
MW242.13 g/mol
LogP-9.02
Rot. Bonds2

About dilithium bis((2S)-pyrrolidine-2-carboxylate)

dilithium bis((2S)-pyrrolidine-2-carboxylate) (PubChem CID 169095564) has the molecular formula C10H16Li2N2O4 and a molecular weight of 242.13 g/mol. Its IUPAC name is dilithium bis((2S)-pyrrolidine-2-carboxylate).

Molecular Properties

Compound Namedilithium bis((2S)-pyrrolidine-2-carboxylate)
PubChem CID169095564
Molecular FormulaC10H16Li2N2O4
Molecular Weight242.13 g/mol
Exact Mass242.14
IUPAC Namedilithium bis((2S)-pyrrolidine-2-carboxylate)
SMILESO=C([O-])[C@@H]1CCCN1.O=C([O-])[C@@H]1CCCN1.[Li+].[Li+]
InChIInChI=1S/2C5H9NO2.2Li/c2*7-5(8)4-2-1-3-6-4;;/h2*4,6H,1-3H2,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1
InChIKeyWXPNWMGPIIJSTI-UCQVOLLVSA-L
XLogP-9.02
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 5-9.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium (2S)-pyrrolidine-2-carboxylate
CID 23691818
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
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
tetrakis(2-hydroxyethyl(trimethyl)azanium);(2S)-pyrrolidine-2-carboxylate;phosphate
CID 176895346

Frequently Asked Questions

What is the IUPAC name of dilithium bis((2S)-pyrrolidine-2-carboxylate)?
The IUPAC name of dilithium bis((2S)-pyrrolidine-2-carboxylate) (CID 169095564) is dilithium bis((2S)-pyrrolidine-2-carboxylate).
What is the SMILES notation for dilithium bis((2S)-pyrrolidine-2-carboxylate)?
The canonical SMILES for dilithium bis((2S)-pyrrolidine-2-carboxylate) is O=C([O-])[C@@H]1CCCN1.O=C([O-])[C@@H]1CCCN1.[Li+].[Li+].
What is the InChIKey of dilithium bis((2S)-pyrrolidine-2-carboxylate)?
The InChIKey is WXPNWMGPIIJSTI-UCQVOLLVSA-L. The full InChI is InChI=1S/2C5H9NO2.2Li/c2*7-5(8)4-2-1-3-6-4;;/h2*4,6H,1-3H2,(H,7,8);;/q;;2*+1/p-2/t2*4-;;/m00../s1.
What are the key properties of dilithium bis((2S)-pyrrolidine-2-carboxylate)?
dilithium bis((2S)-pyrrolidine-2-carboxylate) has a molecular weight of 242.13 g/mol, XLogP of -9.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis((2S)-pyrrolidine-2-carboxylate) is sourced from PubChem (CID 169095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).