(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide

C14H21N3O3 — CID 70778148

IUPAC(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)o2)C1
InChIInChI=1S/C14H21N3O3/c1-4-15-14(19)17-7-11(12(8-17)16-10(3)18)13-6-5-9(2)20-13/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,19)(H,16,18)/t11-,12-/m1/s1
InChIKeyDYIQKPDGBYFILE-VXGBXAGGSA-N
MW279.34 g/mol
LogP1.22
Rot. Bonds3

About (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide

(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide (PubChem CID 70778148) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide
PubChem CID70778148
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)o2)C1
InChIInChI=1S/C14H21N3O3/c1-4-15-14(19)17-7-11(12(8-17)16-10(3)18)13-6-5-9(2)20-13/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,19)(H,16,18)/t11-,12-/m1/s1
InChIKeyDYIQKPDGBYFILE-VXGBXAGGSA-N
XLogP1.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-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,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide (CID 70778148) is (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide is CCNC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)o2)C1.
What is the InChIKey of (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is DYIQKPDGBYFILE-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-15-14(19)17-7-11(12(8-17)16-10(3)18)13-6-5-9(2)20-13/h5-6,11-12H,4,7-8H2,1-3H3,(H,15,19)(H,16,18)/t11-,12-/m1/s1.
What are the key properties of (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide?
(3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-acetamido-N-ethyl-4-(5-methylfuran-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 70778148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).