(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide

C11H18N2O2 — CID 158642330

IUPAC(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide
SMILESC=C1CCC(NC(=O)[C@@H](C)CC)C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-4-7(2)10(14)13-9-6-5-8(3)12-11(9)15/h7,9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,9?/m0/s1
InChIKeyJPZDEZKCJJHLAM-JAVCKPHESA-N
MW210.28 g/mol
LogP0.94
Rot. Bonds3

About (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide

(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide (PubChem CID 158642330) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide
PubChem CID158642330
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide
SMILESC=C1CCC(NC(=O)[C@@H](C)CC)C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-4-7(2)10(14)13-9-6-5-8(3)12-11(9)15/h7,9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,9?/m0/s1
InChIKeyJPZDEZKCJJHLAM-JAVCKPHESA-N
XLogP0.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide 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 (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide?
The IUPAC name of (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide (CID 158642330) is (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide is C=C1CCC(NC(=O)[C@@H](C)CC)C(=O)N1.
What is the InChIKey of (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide?
The InChIKey is JPZDEZKCJJHLAM-JAVCKPHESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-7(2)10(14)13-9-6-5-8(3)12-11(9)15/h7,9H,3-6H2,1-2H3,(H,12,15)(H,13,14)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide?
(2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 158642330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).