potassium (2S)-5-oxopyrrolidine-2-carboxylate

C5H6KNO3 — CID 23684897

IUPACpotassium (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1.[K+]
InChIInChI=1S/C5H7NO3.K/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyWKHCFXKQKDNLEB-DFWYDOINSA-M
MW167.20 g/mol
LogP-4.98
Rot. Bonds1

About potassium (2S)-5-oxopyrrolidine-2-carboxylate

potassium (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 23684897) has the molecular formula C5H6KNO3 and a molecular weight of 167.20 g/mol. Its IUPAC name is potassium (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID23684897
Molecular FormulaC5H6KNO3
Molecular Weight167.20 g/mol
Exact Mass167.00
IUPAC Namepotassium (2S)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@@H](C(=O)[O-])N1.[K+]
InChIInChI=1S/C5H7NO3.K/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1
InChIKeyWKHCFXKQKDNLEB-DFWYDOINSA-M
XLogP-4.98
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-4.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of potassium (2S)-5-oxopyrrolidine-2-carboxylate (CID 23684897) is potassium (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for potassium (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for potassium (2S)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@@H](C(=O)[O-])N1.[K+].
What is the InChIKey of potassium (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is WKHCFXKQKDNLEB-DFWYDOINSA-M. The full InChI is InChI=1S/C5H7NO3.K/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of potassium (2S)-5-oxopyrrolidine-2-carboxylate?
potassium (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 167.20 g/mol, XLogP of -4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 23684897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).