sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate

C7H10NNaO4 — CID 23695989

IUPACsodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])C1CC(=O)N(CCO)C1.[Na+]
InChIInChI=1S/C7H11NO4.Na/c9-2-1-8-4-5(7(11)12)3-6(8)10;/h5,9H,1-4H2,(H,11,12);/q;+1/p-1
InChIKeyAHNPSXHWFCFSQG-UHFFFAOYSA-M
MW195.15 g/mol
LogP-5.42
Rot. Bonds3

About sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate

sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 23695989) has the molecular formula C7H10NNaO4 and a molecular weight of 195.15 g/mol. Its IUPAC name is sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namesodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID23695989
Molecular FormulaC7H10NNaO4
Molecular Weight195.15 g/mol
Exact Mass195.05
IUPAC Namesodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])C1CC(=O)N(CCO)C1.[Na+]
InChIInChI=1S/C7H11NO4.Na/c9-2-1-8-4-5(7(11)12)3-6(8)10;/h5,9H,1-4H2,(H,11,12);/q;+1/p-1
InChIKeyAHNPSXHWFCFSQG-UHFFFAOYSA-M
XLogP-5.42
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-5.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate (CID 23695989) is sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate is O=C([O-])C1CC(=O)N(CCO)C1.[Na+].
What is the InChIKey of sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is AHNPSXHWFCFSQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO4.Na/c9-2-1-8-4-5(7(11)12)3-6(8)10;/h5,9H,1-4H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate?
sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 195.15 g/mol, XLogP of -5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 23695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).