1-ethyl-5-oxopyrrolidine-2-carboxylic acid

C7H11NO3 — CID 19002576

IUPAC1-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-8-5(7(10)11)3-4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyAGWPBFFUIGQGJG-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds2

About 1-ethyl-5-oxopyrrolidine-2-carboxylic acid

1-ethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 19002576) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-ethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID19002576
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-ethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCN1C(=O)CCC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-2-8-5(7(10)11)3-4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyAGWPBFFUIGQGJG-UHFFFAOYSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-ethyl-5-oxopyrrolidine-2-carboxylic acid (CID 19002576) is 1-ethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-5-oxopyrrolidine-2-carboxylic acid is CCN1C(=O)CCC1C(=O)O.
What is the InChIKey of 1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is AGWPBFFUIGQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-8-5(7(10)11)3-4-6(8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-5-oxopyrrolidine-2-carboxylic acid?
1-ethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19002576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).