(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide

C11H22N2O2 — CID 158124322

IUPAC(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide
SMILESCCC(C)[C@H](NC)C(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-5-7(2)10(13-4)9(14)6-8(3)11(12)15/h7-8,10,13H,5-6H2,1-4H3,(H2,12,15)/t7?,8-,10-/m0/s1
InChIKeyGGZCKPZDUPAZSS-CFGJQEBVSA-N
MW214.31 g/mol
LogP0.70
Rot. Bonds7

About (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide

(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide (PubChem CID 158124322) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide.

Molecular Properties

Compound Name(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide
PubChem CID158124322
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide
SMILESCCC(C)[C@H](NC)C(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-5-7(2)10(13-4)9(14)6-8(3)11(12)15/h7-8,10,13H,5-6H2,1-4H3,(H2,12,15)/t7?,8-,10-/m0/s1
InChIKeyGGZCKPZDUPAZSS-CFGJQEBVSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
(2S)-4-amino-2-(ethylamino)-4-oxobutanoic acid;(2S,3S)-3-methyl-2-(methylamino)pentanoic acid
CID 158615709
3-ethyl-2-(methylamino)pentanamide
CID 61318910
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
(2S)-2-[[(2R,5S)-5-[[(2R,5S)-2-(4-aminobutyl)-6-methyl-5-(methylamino)-4-oxooctanoyl]amino]-2,6-dimethyl-4-oxoheptanoyl]amino]-3-methylbutanoic acid
CID 157191203
(2S,3S)-3-methyl-2-[(3-methyl-2-oxopentanoyl)amino]pentanamide
CID 167869588
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
methane;2-methylbutanamide
CID 158835184
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
(2S,3S)-N-ethyl-N,3-dimethyl-2-(methylamino)pentanamide
CID 89069924
(2R,3R)-2,3-dimethylpentanamide
CID 170847775

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide?
The IUPAC name of (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide (CID 158124322) is (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide.
What is the SMILES notation for (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide?
The canonical SMILES for (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide is CCC(C)[C@H](NC)C(=O)C[C@H](C)C(N)=O.
What is the InChIKey of (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide?
The InChIKey is GGZCKPZDUPAZSS-CFGJQEBVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-7(2)10(13-4)9(14)6-8(3)11(12)15/h7-8,10,13H,5-6H2,1-4H3,(H2,12,15)/t7?,8-,10-/m0/s1.
What are the key properties of (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide?
(2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide has a molecular weight of 214.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,6-dimethyl-5-(methylamino)-4-oxooctanamide is sourced from PubChem (CID 158124322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).