1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

C10H11NO4 — CID 83192727

IUPAC1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccoc2)C1
InChIInChI=1S/C10H11NO4/c12-9-3-8(10(13)14)5-11(9)4-7-1-2-15-6-7/h1-2,6,8H,3-5H2,(H,13,14)
InChIKeyACYPGRUMNSWYCN-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.71
Rot. Bonds3

About 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83192727) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83192727
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccoc2)C1
InChIInChI=1S/C10H11NO4/c12-9-3-8(10(13)14)5-11(9)4-7-1-2-15-6-7/h1-2,6,8H,3-5H2,(H,13,14)
InChIKeyACYPGRUMNSWYCN-UHFFFAOYSA-N
XLogP0.71
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691406
1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2739200
1-[[4-(aminomethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691470
S-[[1-(furan-3-ylmethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667851
1-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 45032320
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
1-[(3-bromo-4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691429
(3S)-1-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95132360
1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690904
5-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 46109570
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94471729

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 83192727) is 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccoc2)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ACYPGRUMNSWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9-3-8(10(13)14)5-11(9)4-7-1-2-15-6-7/h1-2,6,8H,3-5H2,(H,13,14).
What are the key properties of 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83192727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).