(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

C13H18N2O4 — CID 110203600

IUPAC(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1COC
InChIInChI=1S/C13H18N2O4/c1-14-12(16)11-6-15(5-10(11)7-18-2)13(17)9-3-4-19-8-9/h3-4,8,10-11H,5-7H2,1-2H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyAEPISJUMSRPOLU-WDEREUQCSA-N
MW266.30 g/mol
LogP0.36
Rot. Bonds4

About (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203600) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203600
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1COC
InChIInChI=1S/C13H18N2O4/c1-14-12(16)11-6-15(5-10(11)7-18-2)13(17)9-3-4-19-8-9/h3-4,8,10-11H,5-7H2,1-2H3,(H,14,16)/t10-,11+/m0/s1
InChIKeyAEPISJUMSRPOLU-WDEREUQCSA-N
XLogP0.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-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 (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (CID 110203600) is (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is AEPISJUMSRPOLU-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14-12(16)11-6-15(5-10(11)7-18-2)13(17)9-3-4-19-8-9/h3-4,8,10-11H,5-7H2,1-2H3,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(furan-3-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).