2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide

C12H23N3O2 — CID 103576576

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC1CN(CC(=O)NC2CCOCC2)CC1N
InChIInChI=1S/C12H23N3O2/c1-9-6-15(7-11(9)13)8-12(16)14-10-2-4-17-5-3-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyMIJRUKJGCYUDNR-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.44
Rot. Bonds3

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 103576576) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID103576576
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC1CN(CC(=O)NC2CCOCC2)CC1N
InChIInChI=1S/C12H23N3O2/c1-9-6-15(7-11(9)13)8-12(16)14-10-2-4-17-5-3-10/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyMIJRUKJGCYUDNR-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63760722
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 102938880
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
CID 72926431
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
CID 119920439
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 103576526
2-(3-hydroxypiperidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63097682
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63341524
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63339437
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide (CID 103576576) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide is CC1CN(CC(=O)NC2CCOCC2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is MIJRUKJGCYUDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-6-15(7-11(9)13)8-12(16)14-10-2-4-17-5-3-10/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 103576576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).