(5S)-5-acetamido-N-methyl-4-oxohexanamide

C9H16N2O3 — CID 118531983

IUPAC(5S)-5-acetamido-N-methyl-4-oxohexanamide
SMILESCNC(=O)CCC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C9H16N2O3/c1-6(11-7(2)12)8(13)4-5-9(14)10-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKeyDLTRZHZIJNMYEG-LURJTMIESA-N
MW200.24 g/mol
LogP-0.39
Rot. Bonds5

About (5S)-5-acetamido-N-methyl-4-oxohexanamide

(5S)-5-acetamido-N-methyl-4-oxohexanamide (PubChem CID 118531983) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (5S)-5-acetamido-N-methyl-4-oxohexanamide.

Molecular Properties

Compound Name(5S)-5-acetamido-N-methyl-4-oxohexanamide
PubChem CID118531983
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(5S)-5-acetamido-N-methyl-4-oxohexanamide
SMILESCNC(=O)CCC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C9H16N2O3/c1-6(11-7(2)12)8(13)4-5-9(14)10-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1
InChIKeyDLTRZHZIJNMYEG-LURJTMIESA-N
XLogP-0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-acetamido-4-oxohexanamide;ethane
CID 144964683
(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
CID 144964928
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
CID 141129031
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
(5S)-4-oxo-5-(propanoylamino)hexanamide
CID 126731889
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
2-acetamido-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 64581277
(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamidopropanoyl iodide
CID 126569176

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetamido-N-methyl-4-oxohexanamide?
The IUPAC name of (5S)-5-acetamido-N-methyl-4-oxohexanamide (CID 118531983) is (5S)-5-acetamido-N-methyl-4-oxohexanamide.
What is the SMILES notation for (5S)-5-acetamido-N-methyl-4-oxohexanamide?
The canonical SMILES for (5S)-5-acetamido-N-methyl-4-oxohexanamide is CNC(=O)CCC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (5S)-5-acetamido-N-methyl-4-oxohexanamide?
The InChIKey is DLTRZHZIJNMYEG-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(11-7(2)12)8(13)4-5-9(14)10-3/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12)/t6-/m0/s1.
What are the key properties of (5S)-5-acetamido-N-methyl-4-oxohexanamide?
(5S)-5-acetamido-N-methyl-4-oxohexanamide has a molecular weight of 200.24 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetamido-N-methyl-4-oxohexanamide is sourced from PubChem (CID 118531983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).