(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide

C9H18N2O2 — CID 157242998

IUPAC(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide
SMILESCNC(C)(C)C(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(8(10)13)5-7(12)9(2,3)11-4/h6,11H,5H2,1-4H3,(H2,10,13)/t6-/m0/s1
InChIKeyBAIGCRNFJRHIPM-LURJTMIESA-N
MW186.25 g/mol
LogP0.06
Rot. Bonds5

About (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide

(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide (PubChem CID 157242998) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide.

Molecular Properties

Compound Name(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide
PubChem CID157242998
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide
SMILESCNC(C)(C)C(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(8(10)13)5-7(12)9(2,3)11-4/h6,11H,5H2,1-4H3,(H2,10,13)/t6-/m0/s1
InChIKeyBAIGCRNFJRHIPM-LURJTMIESA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
1-chloro-3-methyl-3-(methylamino)butan-2-one
CID 159365192
2-[[2-methyl-4-(methylamino)-3-oxobutan-2-yl]amino]propanamide
CID 166851139
4-hydroxy-2,4-dimethylpentanamide
CID 89306477
(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide
CID 158124322
methyl 3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-methylpropanoate
CID 66114217
2-methyl-4,5-dioxoheptanamide
CID 19880553
N-(2-amino-2-oxoethoxy)-2-methyl-2-(methylamino)propanamide
CID 112674056
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
N',2-dimethylpentanediamide
CID 21268064
methane;propan-2-yl 2-methyl-2-(methylamino)propanoate
CID 167683486
2-methyl-N'-methylidenebutanediamide
CID 91033865

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide?
The IUPAC name of (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide (CID 157242998) is (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide.
What is the SMILES notation for (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide?
The canonical SMILES for (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide is CNC(C)(C)C(=O)C[C@H](C)C(N)=O.
What is the InChIKey of (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide?
The InChIKey is BAIGCRNFJRHIPM-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(8(10)13)5-7(12)9(2,3)11-4/h6,11H,5H2,1-4H3,(H2,10,13)/t6-/m0/s1.
What are the key properties of (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide?
(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide has a molecular weight of 186.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide is sourced from PubChem (CID 157242998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).