(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

C11H15FN2O2 — CID 131955290

IUPAC(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)o1
InChIInChI=1S/C11H15FN2O2/c1-7-2-3-9(16-7)6-14-5-8(12)4-10(14)11(13)15/h2-3,8,10H,4-6H2,1H3,(H2,13,15)/t8-,10+/m1/s1
InChIKeyONBKPMPMTIUNAW-SCZZXKLOSA-N
MW226.25 g/mol
LogP0.99
Rot. Bonds3

About (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 131955290) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID131955290
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)o1
InChIInChI=1S/C11H15FN2O2/c1-7-2-3-9(16-7)6-14-5-8(12)4-10(14)11(13)15/h2-3,8,10H,4-6H2,1H3,(H2,13,15)/t8-,10+/m1/s1
InChIKeyONBKPMPMTIUNAW-SCZZXKLOSA-N
XLogP0.99
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (CID 131955290) is (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)o1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ONBKPMPMTIUNAW-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-2-3-9(16-7)6-14-5-8(12)4-10(14)11(13)15/h2-3,8,10H,4-6H2,1H3,(H2,13,15)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131955290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).