(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide

C11H21N3O2 — CID 163635005

IUPAC(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide
SMILESC=C[C@H](NC(=O)[C@@H](NC)C(C)C)C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-6-8(10(15)13-5)14-11(16)9(12-4)7(2)3/h6-9,12H,1H2,2-5H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1
InChIKeyHZIDMZBCYTYPBU-IUCAKERBSA-N
MW227.31 g/mol
LogP-0.35
Rot. Bonds6

About (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide

(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide (PubChem CID 163635005) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide
PubChem CID163635005
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide
SMILESC=C[C@H](NC(=O)[C@@H](NC)C(C)C)C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-6-8(10(15)13-5)14-11(16)9(12-4)7(2)3/h6-9,12H,1H2,2-5H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1
InChIKeyHZIDMZBCYTYPBU-IUCAKERBSA-N
XLogP-0.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-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)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide?
The IUPAC name of (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide (CID 163635005) is (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide is C=C[C@H](NC(=O)[C@@H](NC)C(C)C)C(=O)NC.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide?
The InChIKey is HZIDMZBCYTYPBU-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-8(10(15)13-5)14-11(16)9(12-4)7(2)3/h6-9,12H,1H2,2-5H3,(H,13,15)(H,14,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide?
(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide is sourced from PubChem (CID 163635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).