1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid

C17H17NO5 — CID 119355008

IUPAC1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2occc2COc2ccccc2)C1
InChIInChI=1S/C17H17NO5/c19-16(18-8-6-12(10-18)17(20)21)15-13(7-9-22-15)11-23-14-4-2-1-3-5-14/h1-5,7,9,12H,6,8,10-11H2,(H,20,21)
InChIKeyCTPNJXYTARVZCG-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.41
Rot. Bonds5

About 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid

1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355008) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119355008
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2occc2COc2ccccc2)C1
InChIInChI=1S/C17H17NO5/c19-16(18-8-6-12(10-18)17(20)21)15-13(7-9-22-15)11-23-14-4-2-1-3-5-14/h1-5,7,9,12H,6,8,10-11H2,(H,20,21)
InChIKeyCTPNJXYTARVZCG-UHFFFAOYSA-N
XLogP2.41
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-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

1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119486321
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 95590071
morpholin-4-yl-[1-[3-(phenoxymethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 43064177
[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 166315551
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
[3-(phenoxymethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832889
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55498214
(4-methylsulfonylpiperazin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 51305572

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 119355008) is 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2occc2COc2ccccc2)C1.
What is the InChIKey of 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CTPNJXYTARVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c19-16(18-8-6-12(10-18)17(20)21)15-13(7-9-22-15)11-23-14-4-2-1-3-5-14/h1-5,7,9,12H,6,8,10-11H2,(H,20,21).
What are the key properties of 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid?
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).