2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid

C8H11NO5 — CID 90789194

IUPAC2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESCCC1(C(=O)O)CCC(=O)N1C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-8(6(11)12)4-3-5(10)9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyUIGXQSHVLRQKRQ-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.52
Rot. Bonds2

About 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid

2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid (PubChem CID 90789194) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid
PubChem CID90789194
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESCCC1(C(=O)O)CCC(=O)N1C(=O)O
InChIInChI=1S/C8H11NO5/c1-2-8(6(11)12)4-3-5(10)9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyUIGXQSHVLRQKRQ-UHFFFAOYSA-N
XLogP0.52
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid (CID 90789194) is 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid is CCC1(C(=O)O)CCC(=O)N1C(=O)O.
What is the InChIKey of 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is UIGXQSHVLRQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-2-8(6(11)12)4-3-5(10)9(8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid?
2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 201.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 90789194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).