5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid

C19H20N2O7 — CID 119246300

IUPAC5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1OC
InChIInChI=1S/C19H20N2O7/c1-26-14-5-3-12(8-16(14)27-2)21-10-11(7-17(21)22)18(23)20-9-13-4-6-15(28-13)19(24)25/h3-6,8,11H,7,9-10H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUSSZJAZASUQGBO-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.66
Rot. Bonds7

About 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119246300) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119246300
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1OC
InChIInChI=1S/C19H20N2O7/c1-26-14-5-3-12(8-16(14)27-2)21-10-11(7-17(21)22)18(23)20-9-13-4-6-15(28-13)19(24)25/h3-6,8,11H,7,9-10H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyUSSZJAZASUQGBO-UHFFFAOYSA-N
XLogP1.66
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
3-[[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125148351
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
1-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55815159
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55567039
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 119246300) is 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid is COc1ccc(N2CC(C(=O)NCc3ccc(C(=O)O)o3)CC2=O)cc1OC.
What is the InChIKey of 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is USSZJAZASUQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-26-14-5-3-12(8-16(14)27-2)21-10-11(7-17(21)22)18(23)20-9-13-4-6-15(28-13)19(24)25/h3-6,8,11H,7,9-10H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 388.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119246300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).