4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride

C13H27Cl2N3O2 — CID 120597502

IUPAC4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CC(C)N(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-9-5-10(8-16(9)11-3-4-11)15-13(17)6-12(7-14)18-2;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H
InChIKeyJEBHWFQIARPMHN-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.94
Rot. Bonds6

About 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride

4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride (PubChem CID 120597502) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
PubChem CID120597502
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC1CC(C)N(C2CC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-9-5-10(8-16(9)11-3-4-11)15-13(17)6-12(7-14)18-2;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H
InChIKeyJEBHWFQIARPMHN-UHFFFAOYSA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide;dihydrochloride
CID 119900317
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 120591771
4-amino-N-[3-(dimethylamino)cyclohexyl]-3-methoxybutanamide;dihydrochloride
CID 120597030
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
CID 104866700
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
CID 119900365
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride (CID 120597502) is 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NC1CC(C)N(C2CC2)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride?
The InChIKey is JEBHWFQIARPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-9-5-10(8-16(9)11-3-4-11)15-13(17)6-12(7-14)18-2;;/h9-12H,3-8,14H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride?
4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120597502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).