1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one

C10H20N2O — CID 58615163

IUPAC1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one
SMILESCN[C@H](CN1CCC(=O)C1)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyNPJLUTRICHHDHG-SNVBAGLBSA-N
MW184.28 g/mol
LogP0.51
Rot. Bonds4

About 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one

1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one (PubChem CID 58615163) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one
PubChem CID58615163
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one
SMILESCN[C@H](CN1CCC(=O)C1)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyNPJLUTRICHHDHG-SNVBAGLBSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one?
The IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one (CID 58615163) is 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one?
The canonical SMILES for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one is CN[C@H](CN1CCC(=O)C1)C(C)C.
What is the InChIKey of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one?
The InChIKey is NPJLUTRICHHDHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)10(11-3)7-12-5-4-9(13)6-12/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one?
1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one has a molecular weight of 184.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-(methylamino)butyl]pyrrolidin-3-one is sourced from PubChem (CID 58615163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).