hexyl 4-oxo-5-(propanoylamino)pentanoate

C14H25NO4 — CID 155884525

IUPAChexyl 4-oxo-5-(propanoylamino)pentanoate
SMILESCCCCCCOC(=O)CCC(=O)CNC(=O)CC
InChIInChI=1S/C14H25NO4/c1-3-5-6-7-10-19-14(18)9-8-12(16)11-15-13(17)4-2/h3-11H2,1-2H3,(H,15,17)
InChIKeyPPPXDBRYKQMXLR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.99
Rot. Bonds11

About hexyl 4-oxo-5-(propanoylamino)pentanoate

hexyl 4-oxo-5-(propanoylamino)pentanoate (PubChem CID 155884525) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is hexyl 4-oxo-5-(propanoylamino)pentanoate.

Molecular Properties

Compound Namehexyl 4-oxo-5-(propanoylamino)pentanoate
PubChem CID155884525
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namehexyl 4-oxo-5-(propanoylamino)pentanoate
SMILESCCCCCCOC(=O)CCC(=O)CNC(=O)CC
InChIInChI=1S/C14H25NO4/c1-3-5-6-7-10-19-14(18)9-8-12(16)11-15-13(17)4-2/h3-11H2,1-2H3,(H,15,17)
InChIKeyPPPXDBRYKQMXLR-UHFFFAOYSA-N
XLogP1.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexyl 4-oxo-5-(propanoylamino)pentanoate?
The IUPAC name of hexyl 4-oxo-5-(propanoylamino)pentanoate (CID 155884525) is hexyl 4-oxo-5-(propanoylamino)pentanoate.
What is the SMILES notation for hexyl 4-oxo-5-(propanoylamino)pentanoate?
The canonical SMILES for hexyl 4-oxo-5-(propanoylamino)pentanoate is CCCCCCOC(=O)CCC(=O)CNC(=O)CC.
What is the InChIKey of hexyl 4-oxo-5-(propanoylamino)pentanoate?
The InChIKey is PPPXDBRYKQMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-5-6-7-10-19-14(18)9-8-12(16)11-15-13(17)4-2/h3-11H2,1-2H3,(H,15,17).
What are the key properties of hexyl 4-oxo-5-(propanoylamino)pentanoate?
hexyl 4-oxo-5-(propanoylamino)pentanoate has a molecular weight of 271.36 g/mol, XLogP of 1.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-oxo-5-(propanoylamino)pentanoate is sourced from PubChem (CID 155884525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).