2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide

C12H25N3O2 — CID 103577229

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CC(C)C(N)C1
InChIInChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)13)10(2)12(16)14-5-4-6-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZTRPPXGYBWMSNV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds6

About 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide

2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 103577229) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID103577229
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CC(C)C(N)C1
InChIInChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)13)10(2)12(16)14-5-4-6-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZTRPPXGYBWMSNV-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499096
(3S,4S)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086295
N-(3-methoxypropyl)-2-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499445
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide (CID 103577229) is 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CC(C)C(N)C1.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is ZTRPPXGYBWMSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9-7-15(8-11(9)13)10(2)12(16)14-5-4-6-17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 6 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 103577229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).