potassium 2-oxopyrrolidine-1-carboxylate

C5H6KNO3 — CID 23675141

IUPACpotassium 2-oxopyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCCC1=O.[K+]
InChIInChI=1S/C5H7NO3.K/c7-4-2-1-3-6(4)5(8)9;/h1-3H2,(H,8,9);/q;+1/p-1
InChIKeyMEXQWQLMJYIYPG-UHFFFAOYSA-M
MW167.20 g/mol
LogP-4.04
Rot. Bonds

About potassium 2-oxopyrrolidine-1-carboxylate

potassium 2-oxopyrrolidine-1-carboxylate (PubChem CID 23675141) has the molecular formula C5H6KNO3 and a molecular weight of 167.20 g/mol. Its IUPAC name is potassium 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepotassium 2-oxopyrrolidine-1-carboxylate
PubChem CID23675141
Molecular FormulaC5H6KNO3
Molecular Weight167.20 g/mol
Exact Mass167.00
IUPAC Namepotassium 2-oxopyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCCC1=O.[K+]
InChIInChI=1S/C5H7NO3.K/c7-4-2-1-3-6(4)5(8)9;/h1-3H2,(H,8,9);/q;+1/p-1
InChIKeyMEXQWQLMJYIYPG-UHFFFAOYSA-M
XLogP-4.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-4.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylsuccinimide
CID 70717
N-Ethylsuccinimide
CID 16842
2-Pyrrolidinone, 1-acetyl-
CID 70266
N-Propylsuccinimide
CID 18983
2-Oxo-1-pyrrolidinecarbonyl chloride
CID 20065300
1-Propanoylpyrrolidin-2-one
CID 242154
1-Butanoylpyrrolidin-2-one
CID 242155
Pyroglutamate, (+)-
CID 9855476
2-Oxopyrrolidine-1-carbonyl fluoride
CID 135004141
N-methoxycarbonyl-pyrrolidone
CID 10855574
2-Oxopyrrolidine-1-carbaldehyde
CID 12939447
2-Oxo-1-pyrrolidinylpotassium
CID 13284943

Frequently Asked Questions

What is the IUPAC name of potassium 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of potassium 2-oxopyrrolidine-1-carboxylate (CID 23675141) is potassium 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for potassium 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for potassium 2-oxopyrrolidine-1-carboxylate is O=C([O-])N1CCCC1=O.[K+].
What is the InChIKey of potassium 2-oxopyrrolidine-1-carboxylate?
The InChIKey is MEXQWQLMJYIYPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.K/c7-4-2-1-3-6(4)5(8)9;/h1-3H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-oxopyrrolidine-1-carboxylate?
potassium 2-oxopyrrolidine-1-carboxylate has a molecular weight of 167.20 g/mol, XLogP of -4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 23675141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).