sodium;2-oxopyrrolidine-1-carboxylate;hydrate

C5H8NNaO4 — CID 139621831

IUPACsodium;2-oxopyrrolidine-1-carboxylate;hydrate
SMILESO.O=C([O-])N1CCCC1=O.[Na+]
InChIInChI=1S/C5H7NO3.Na.H2O/c7-4-2-1-3-6(4)5(8)9;;/h1-3H2,(H,8,9);;1H2/q;+1;/p-1
InChIKeyICRSJIWAEOUPIV-UHFFFAOYSA-M
MW169.11 g/mol
LogP-4.87
Rot. Bonds

About sodium;2-oxopyrrolidine-1-carboxylate;hydrate

sodium;2-oxopyrrolidine-1-carboxylate;hydrate (PubChem CID 139621831) has the molecular formula C5H8NNaO4 and a molecular weight of 169.11 g/mol. Its IUPAC name is sodium;2-oxopyrrolidine-1-carboxylate;hydrate.

Molecular Properties

Compound Namesodium;2-oxopyrrolidine-1-carboxylate;hydrate
PubChem CID139621831
Molecular FormulaC5H8NNaO4
Molecular Weight169.11 g/mol
Exact Mass169.04
IUPAC Namesodium;2-oxopyrrolidine-1-carboxylate;hydrate
SMILESO.O=C([O-])N1CCCC1=O.[Na+]
InChIInChI=1S/C5H7NO3.Na.H2O/c7-4-2-1-3-6(4)5(8)9;;/h1-3H2,(H,8,9);;1H2/q;+1;/p-1
InChIKeyICRSJIWAEOUPIV-UHFFFAOYSA-M
XLogP-4.87
TPSA91.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 5-4.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
2-oxopyrrolidine-1-carboxylic acid;urea
CID 158320427
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
3-methyl-2-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 68816336
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide
CID 2776871
1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246

Frequently Asked Questions

What is the IUPAC name of sodium;2-oxopyrrolidine-1-carboxylate;hydrate?
The IUPAC name of sodium;2-oxopyrrolidine-1-carboxylate;hydrate (CID 139621831) is sodium;2-oxopyrrolidine-1-carboxylate;hydrate.
What is the SMILES notation for sodium;2-oxopyrrolidine-1-carboxylate;hydrate?
The canonical SMILES for sodium;2-oxopyrrolidine-1-carboxylate;hydrate is O.O=C([O-])N1CCCC1=O.[Na+].
What is the InChIKey of sodium;2-oxopyrrolidine-1-carboxylate;hydrate?
The InChIKey is ICRSJIWAEOUPIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.Na.H2O/c7-4-2-1-3-6(4)5(8)9;;/h1-3H2,(H,8,9);;1H2/q;+1;/p-1.
What are the key properties of sodium;2-oxopyrrolidine-1-carboxylate;hydrate?
sodium;2-oxopyrrolidine-1-carboxylate;hydrate has a molecular weight of 169.11 g/mol, XLogP of -4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-oxopyrrolidine-1-carboxylate;hydrate is sourced from PubChem (CID 139621831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).