(5S)-4-oxo-5-(propanoylamino)hexanamide

C9H16N2O3 — CID 126731889

IUPAC(5S)-4-oxo-5-(propanoylamino)hexanamide
SMILESCCC(=O)N[C@@H](C)C(=O)CCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-3-9(14)11-6(2)7(12)4-5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)/t6-/m0/s1
InChIKeyFKDCHTJUSOEYQI-LURJTMIESA-N
MW200.24 g/mol
LogP-0.26
Rot. Bonds6

About (5S)-4-oxo-5-(propanoylamino)hexanamide

(5S)-4-oxo-5-(propanoylamino)hexanamide (PubChem CID 126731889) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (5S)-4-oxo-5-(propanoylamino)hexanamide.

Molecular Properties

Compound Name(5S)-4-oxo-5-(propanoylamino)hexanamide
PubChem CID126731889
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(5S)-4-oxo-5-(propanoylamino)hexanamide
SMILESCCC(=O)N[C@@H](C)C(=O)CCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-3-9(14)11-6(2)7(12)4-5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)/t6-/m0/s1
InChIKeyFKDCHTJUSOEYQI-LURJTMIESA-N
XLogP-0.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-acetamido-4-oxohexanamide;ethane
CID 144964683
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
N-(3-oxobutan-2-yl)propanamide
CID 22943760
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]propanamide
CID 10464584
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
CID 89296216
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of (5S)-4-oxo-5-(propanoylamino)hexanamide?
The IUPAC name of (5S)-4-oxo-5-(propanoylamino)hexanamide (CID 126731889) is (5S)-4-oxo-5-(propanoylamino)hexanamide.
What is the SMILES notation for (5S)-4-oxo-5-(propanoylamino)hexanamide?
The canonical SMILES for (5S)-4-oxo-5-(propanoylamino)hexanamide is CCC(=O)N[C@@H](C)C(=O)CCC(N)=O.
What is the InChIKey of (5S)-4-oxo-5-(propanoylamino)hexanamide?
The InChIKey is FKDCHTJUSOEYQI-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-9(14)11-6(2)7(12)4-5-8(10)13/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)/t6-/m0/s1.
What are the key properties of (5S)-4-oxo-5-(propanoylamino)hexanamide?
(5S)-4-oxo-5-(propanoylamino)hexanamide has a molecular weight of 200.24 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-oxo-5-(propanoylamino)hexanamide is sourced from PubChem (CID 126731889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).