2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C17H27N3O3 — CID 156603923

IUPAC2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1ccc(C2CN(CC(=O)N3CC(C)OC(C)C3)CC2N)o1
InChIInChI=1S/C17H27N3O3/c1-11-4-5-16(23-11)14-8-19(9-15(14)18)10-17(21)20-6-12(2)22-13(3)7-20/h4-5,12-15H,6-10,18H2,1-3H3
InChIKeyZRFCVJKUXIRZQW-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.95
Rot. Bonds3

About 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 156603923) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID156603923
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1ccc(C2CN(CC(=O)N3CC(C)OC(C)C3)CC2N)o1
InChIInChI=1S/C17H27N3O3/c1-11-4-5-16(23-11)14-8-19(9-15(14)18)10-17(21)20-6-12(2)22-13(3)7-20/h4-5,12-15H,6-10,18H2,1-3H3
InChIKeyZRFCVJKUXIRZQW-UHFFFAOYSA-N
XLogP0.95
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 133138089
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72912508
1-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 156607312
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
(3S,4R)-1-methyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
CID 99957203
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
1-(2,6-dimethylmorpholin-4-yl)-2-[(3R,4S)-3-(4-methylphenyl)-4-(thiadiazol-4-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 171666947
2-[(3R,4S)-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-(2H-triazol-4-yl)pyrrolidin-3-yl]acetic acid
CID 118761717
1-(2,6-dimethylmorpholin-4-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 78782485
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 94155096
[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 156604168

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 156603923) is 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is Cc1ccc(C2CN(CC(=O)N3CC(C)OC(C)C3)CC2N)o1.
What is the InChIKey of 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ZRFCVJKUXIRZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-11-4-5-16(23-11)14-8-19(9-15(14)18)10-17(21)20-6-12(2)22-13(3)7-20/h4-5,12-15H,6-10,18H2,1-3H3.
What are the key properties of 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 156603923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).