1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C16H20N2O5 — CID 119256642

IUPAC1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1
InChIInChI=1S/C16H20N2O5/c1-16(15(21)22)4-5-17(10-16)14(20)11-7-13(19)18(8-11)9-12-3-2-6-23-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,21,22)
InChIKeyZIWRATPDIGPTKT-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.95
Rot. Bonds4

About 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256642) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256642
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1
InChIInChI=1S/C16H20N2O5/c1-16(15(21)22)4-5-17(10-16)14(20)11-7-13(19)18(8-11)9-12-3-2-6-23-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,21,22)
InChIKeyZIWRATPDIGPTKT-UHFFFAOYSA-N
XLogP0.95
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350
(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 95239410
(3S)-3-methyl-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698086
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110886753
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256642) is 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2CC(=O)N(Cc3ccco3)C2)C1.
What is the InChIKey of 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZIWRATPDIGPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(15(21)22)4-5-17(10-16)14(20)11-7-13(19)18(8-11)9-12-3-2-6-23-12/h2-3,6,11H,4-5,7-10H2,1H3,(H,21,22).
What are the key properties of 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).