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3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

C13H27N3O2 — CID 106112457

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCOC(CN)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(16-6-4-5-7-16)9-15-13(17)12(8-14)18-3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyCGIWOQVYXHPKGF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide

3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (PubChem CID 106112457) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
PubChem CID106112457
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
SMILESCOC(CN)C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(16-6-4-5-7-16)9-15-13(17)12(8-14)18-3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyCGIWOQVYXHPKGF-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide (CID 106112457) is 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is COC(CN)C(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
The InChIKey is CGIWOQVYXHPKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)11(16-6-4-5-7-16)9-15-13(17)12(8-14)18-3/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide?
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide is sourced from PubChem (CID 106112457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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