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

C12H25N3O2 — CID 145135261

IUPAC(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)C(NC(=O)[C@@H](NC)C(C)C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6/h7-10,13H,1-6H3,(H,14,16)(H,15,17)/t9-,10?/m0/s1
InChIKeyAWKKTSYDOXSOIA-RGURZIINSA-N
MW243.35 g/mol
LogP0.12
Rot. Bonds6

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

(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (PubChem CID 145135261) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
PubChem CID145135261
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
SMILESCNC(=O)C(NC(=O)[C@@H](NC)C(C)C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6/h7-10,13H,1-6H3,(H,14,16)(H,15,17)/t9-,10?/m0/s1
InChIKeyAWKKTSYDOXSOIA-RGURZIINSA-N
XLogP0.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl iodide
CID 155401923
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
CID 175893820
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
CID 22955432
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-N-methylbutanediamide
CID 102041700

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The IUPAC name of (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide (CID 145135261) is (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is CNC(=O)C(NC(=O)[C@@H](NC)C(C)C)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
The InChIKey is AWKKTSYDOXSOIA-RGURZIINSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-7(2)9(13-5)12(17)15-10(8(3)4)11(16)14-6/h7-10,13H,1-6H3,(H,14,16)(H,15,17)/t9-,10?/m0/s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide?
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.12, 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-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 145135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).