3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid

C9H9NO4 — CID 105359834

IUPAC3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2ccoc2)C(C(=O)O)N1
InChIInChI=1S/C9H9NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h1-2,4,6,8H,3H2,(H,10,11)(H,12,13)
InChIKeySTYOHCYEYICZNV-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.34
Rot. Bonds2

About 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid

3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359834) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359834
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CC(c2ccoc2)C(C(=O)O)N1
InChIInChI=1S/C9H9NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h1-2,4,6,8H,3H2,(H,10,11)(H,12,13)
InChIKeySTYOHCYEYICZNV-UHFFFAOYSA-N
XLogP0.34
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 72810364
3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83665906
3-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359970
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 174402699
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid (CID 105359834) is 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid is O=C1CC(c2ccoc2)C(C(=O)O)N1.
What is the InChIKey of 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is STYOHCYEYICZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-3-6(5-1-2-14-4-5)8(10-7)9(12)13/h1-2,4,6,8H,3H2,(H,10,11)(H,12,13).
What are the key properties of 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid?
3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).