5-oxopyrrolidine-2-carboxylate

C5H6NO3- — CID 21226158

IUPAC5-oxopyrrolidine-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyODHCTXKNWHHXJC-UHFFFAOYSA-M
MW128.11 g/mol
LogP-1.99
Rot. Bonds1

About 5-oxopyrrolidine-2-carboxylate

5-oxopyrrolidine-2-carboxylate (PubChem CID 21226158) has the molecular formula C5H6NO3- and a molecular weight of 128.11 g/mol. Its IUPAC name is 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name5-oxopyrrolidine-2-carboxylate
PubChem CID21226158
Molecular FormulaC5H6NO3-
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name5-oxopyrrolidine-2-carboxylate
SMILESO=C1CCC(C(=O)[O-])N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyODHCTXKNWHHXJC-UHFFFAOYSA-M
XLogP-1.99
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of 5-oxopyrrolidine-2-carboxylate (CID 21226158) is 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for 5-oxopyrrolidine-2-carboxylate is O=C1CCC(C(=O)[O-])N1.
What is the InChIKey of 5-oxopyrrolidine-2-carboxylate?
The InChIKey is ODHCTXKNWHHXJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1.
What are the key properties of 5-oxopyrrolidine-2-carboxylate?
5-oxopyrrolidine-2-carboxylate has a molecular weight of 128.11 g/mol, XLogP of -1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 21226158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).