1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C11H13NO4 — CID 168691406

IUPAC1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2ccoc2)C1
InChIInChI=1S/C11H13NO4/c13-10-5-9(11(14)15)6-12(10)3-1-8-2-4-16-7-8/h2,4,7,9H,1,3,5-6H2,(H,14,15)
InChIKeyHYMUGOOQSFBOAI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.76
Rot. Bonds4

About 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691406) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691406
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCc2ccoc2)C1
InChIInChI=1S/C11H13NO4/c13-10-5-9(11(14)15)6-12(10)3-1-8-2-4-16-7-8/h2,4,7,9H,1,3,5-6H2,(H,14,15)
InChIKeyHYMUGOOQSFBOAI-UHFFFAOYSA-N
XLogP0.76
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192727
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
(3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94032947
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 95147392
5-oxo-1-[2-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 22682329
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691406) is 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCc2ccoc2)C1.
What is the InChIKey of 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HYMUGOOQSFBOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10-5-9(11(14)15)6-12(10)3-1-8-2-4-16-7-8/h2,4,7,9H,1,3,5-6H2,(H,14,15).
What are the key properties of 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).