2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide

C16H23N3O3 — CID 120771976

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCO2)N1CCC(C)(CN)C1
InChIInChI=1S/C16H23N3O3/c1-11(19-6-5-16(2,8-17)9-19)15(20)18-12-3-4-13-14(7-12)22-10-21-13/h3-4,7,11H,5-6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyOWUIWDKZMZCBCA-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 120771976) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
PubChem CID120771976
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCO2)N1CCC(C)(CN)C1
InChIInChI=1S/C16H23N3O3/c1-11(19-6-5-16(2,8-17)9-19)15(20)18-12-3-4-13-14(7-12)22-10-21-13/h3-4,7,11H,5-6,8-10,17H2,1-2H3,(H,18,20)
InChIKeyOWUIWDKZMZCBCA-UHFFFAOYSA-N
XLogP1.41
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide
CID 120772498
1-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907684
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 11939355
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(3S)-1-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304678
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide;hydrochloride
CID 120761002
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774520
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide (CID 120771976) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)OCO2)N1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is OWUIWDKZMZCBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(19-6-5-16(2,8-17)9-19)15(20)18-12-3-4-13-14(7-12)22-10-21-13/h3-4,7,11H,5-6,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 120771976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).