(5S)-5-acetamido-4-oxohexanamide;ethane

C10H20N2O3 — CID 144964683

IUPAC(5S)-5-acetamido-4-oxohexanamide;ethane
SMILESCC.CC(=O)N[C@@H](C)C(=O)CCC(N)=O
InChIInChI=1S/C8H14N2O3.C2H6/c1-5(10-6(2)11)7(12)3-4-8(9)13;1-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11);1-2H3/t5-;/m0./s1
InChIKeyBSGRFBWZGDHGSA-JEDNCBNOSA-N
MW216.28 g/mol
LogP0.37
Rot. Bonds5

About (5S)-5-acetamido-4-oxohexanamide;ethane

(5S)-5-acetamido-4-oxohexanamide;ethane (PubChem CID 144964683) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (5S)-5-acetamido-4-oxohexanamide;ethane.

Molecular Properties

Compound Name(5S)-5-acetamido-4-oxohexanamide;ethane
PubChem CID144964683
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(5S)-5-acetamido-4-oxohexanamide;ethane
SMILESCC.CC(=O)N[C@@H](C)C(=O)CCC(N)=O
InChIInChI=1S/C8H14N2O3.C2H6/c1-5(10-6(2)11)7(12)3-4-8(9)13;1-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11);1-2H3/t5-;/m0./s1
InChIKeyBSGRFBWZGDHGSA-JEDNCBNOSA-N
XLogP0.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-4-oxo-5-(propanoylamino)hexanamide
CID 126731889
(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
(2S)-2-acetamido-N-[(2S)-6-amino-3-oxohexan-2-yl]propanamide
CID 141129031
methyl (2R)-2-acetamidopropanoate
CID 6951031
4-acetamido-5-hydroxypentanamide
CID 123414269
butanediamide;ethane;molecular hydrogen
CID 144732954
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
CID 144964737
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetamido-4-oxohexanamide;ethane?
The IUPAC name of (5S)-5-acetamido-4-oxohexanamide;ethane (CID 144964683) is (5S)-5-acetamido-4-oxohexanamide;ethane.
What is the SMILES notation for (5S)-5-acetamido-4-oxohexanamide;ethane?
The canonical SMILES for (5S)-5-acetamido-4-oxohexanamide;ethane is CC.CC(=O)N[C@@H](C)C(=O)CCC(N)=O.
What is the InChIKey of (5S)-5-acetamido-4-oxohexanamide;ethane?
The InChIKey is BSGRFBWZGDHGSA-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H14N2O3.C2H6/c1-5(10-6(2)11)7(12)3-4-8(9)13;1-2/h5H,3-4H2,1-2H3,(H2,9,13)(H,10,11);1-2H3/t5-;/m0./s1.
What are the key properties of (5S)-5-acetamido-4-oxohexanamide;ethane?
(5S)-5-acetamido-4-oxohexanamide;ethane has a molecular weight of 216.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetamido-4-oxohexanamide;ethane is sourced from PubChem (CID 144964683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).