(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one

C10H18N2O2 — CID 59104968

IUPAC(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one
SMILESCN[C@@H]1C(=O)N(C(C)C(C)=O)C[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-6-5-12(7(2)8(3)13)10(14)9(6)11-4/h6-7,9,11H,5H2,1-4H3/t6-,7?,9-/m0/s1
InChIKeyZTOHFCYWIVIEKP-LXZQMHNESA-N
MW198.27 g/mol
LogP0.03
Rot. Bonds3

About (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one

(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one (PubChem CID 59104968) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one
PubChem CID59104968
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one
SMILESCN[C@@H]1C(=O)N(C(C)C(C)=O)C[C@@H]1C
InChIInChI=1S/C10H18N2O2/c1-6-5-12(7(2)8(3)13)10(14)9(6)11-4/h6-7,9,11H,5H2,1-4H3/t6-,7?,9-/m0/s1
InChIKeyZTOHFCYWIVIEKP-LXZQMHNESA-N
XLogP0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-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 (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one?
The IUPAC name of (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one (CID 59104968) is (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one is CN[C@@H]1C(=O)N(C(C)C(C)=O)C[C@@H]1C.
What is the InChIKey of (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one?
The InChIKey is ZTOHFCYWIVIEKP-LXZQMHNESA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6-5-12(7(2)8(3)13)10(14)9(6)11-4/h6-7,9,11H,5H2,1-4H3/t6-,7?,9-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one?
(3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-3-(methylamino)-1-(3-oxobutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 59104968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).