(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide

C11H23N3O2 — CID 10537384

IUPAC(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C11H23N3O2/c1-6(2)8(12)10(15)14-9(7(3)4)11(16)13-5/h6-9H,12H2,1-5H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyOVQUJWWMOARWNF-IUCAKERBSA-N
MW229.32 g/mol
LogP-0.14
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide

(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (PubChem CID 10537384) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
PubChem CID10537384
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C11H23N3O2/c1-6(2)8(12)10(15)14-9(7(3)4)11(16)13-5/h6-9H,12H2,1-5H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyOVQUJWWMOARWNF-IUCAKERBSA-N
XLogP-0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-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)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (CID 10537384) is (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is CNC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The InChIKey is OVQUJWWMOARWNF-IUCAKERBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6(2)8(12)10(15)14-9(7(3)4)11(16)13-5/h6-9H,12H2,1-5H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide has a molecular weight of 229.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 10537384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).