3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide

C9H19N3O2 — CID 103538030

IUPAC3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
SMILESCNC(CN1CCC(OC)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-11-8(9(10)13)6-12-4-3-7(5-12)14-2/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyQWCHSGKZZBQHNC-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.22
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide

3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide (PubChem CID 103538030) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
PubChem CID103538030
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
SMILESCNC(CN1CCC(OC)C1)C(N)=O
InChIInChI=1S/C9H19N3O2/c1-11-8(9(10)13)6-12-4-3-7(5-12)14-2/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyQWCHSGKZZBQHNC-UHFFFAOYSA-N
XLogP-1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66370776
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
3-(3-methoxypiperidin-1-yl)-2-methylpropanethioamide
CID 102958133
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
1-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537643
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide (CID 103538030) is 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide is CNC(CN1CCC(OC)C1)C(N)=O.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide?
The InChIKey is QWCHSGKZZBQHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11-8(9(10)13)6-12-4-3-7(5-12)14-2/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide?
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide has a molecular weight of 201.27 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 103538030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).