(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide

C14H22N2O2 — CID 114084833

IUPAC(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C14H22N2O2/c1-10-8-15-9-13(10)14(17)16-11(2)5-6-12-4-3-7-18-12/h3-4,7,10-11,13,15H,5-6,8-9H2,1-2H3,(H,16,17)/t10-,11?,13-/m1/s1
InChIKeyDZOYBYHHWTZDRR-IAUSTGCCSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds5

About (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084833) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114084833
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C14H22N2O2/c1-10-8-15-9-13(10)14(17)16-11(2)5-6-12-4-3-7-18-12/h3-4,7,10-11,13,15H,5-6,8-9H2,1-2H3,(H,16,17)/t10-,11?,13-/m1/s1
InChIKeyDZOYBYHHWTZDRR-IAUSTGCCSA-N
XLogP1.57
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-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)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide (CID 114084833) is (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide is CC(CCc1ccco1)NC(=O)[C@@H]1CNC[C@H]1C.
What is the InChIKey of (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is DZOYBYHHWTZDRR-IAUSTGCCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-15-9-13(10)14(17)16-11(2)5-6-12-4-3-7-18-12/h3-4,7,10-11,13,15H,5-6,8-9H2,1-2H3,(H,16,17)/t10-,11?,13-/m1/s1.
What are the key properties of (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).