4-amino-3-(2-methylpyrrolidin-1-yl)butanamide

C9H19N3O — CID 66428386

IUPAC4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1C(CN)CC(N)=O
InChIInChI=1S/C9H19N3O/c1-7-3-2-4-12(7)8(6-10)5-9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyQUANKYCKPWHLLT-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.33
Rot. Bonds4

About 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide

4-amino-3-(2-methylpyrrolidin-1-yl)butanamide (PubChem CID 66428386) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
PubChem CID66428386
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
SMILESCC1CCCN1C(CN)CC(N)=O
InChIInChI=1S/C9H19N3O/c1-7-3-2-4-12(7)8(6-10)5-9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13)
InChIKeyQUANKYCKPWHLLT-UHFFFAOYSA-N
XLogP-0.33
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide?
The IUPAC name of 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide (CID 66428386) is 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide?
The canonical SMILES for 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide is CC1CCCN1C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide?
The InChIKey is QUANKYCKPWHLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-3-2-4-12(7)8(6-10)5-9(11)13/h7-8H,2-6,10H2,1H3,(H2,11,13).
What are the key properties of 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide?
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide has a molecular weight of 185.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 66428386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).