5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid

C11H20N2O4 — CID 4955593

IUPAC5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
SMILESCCCCCC(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-6-9(14)12-13-10(15)7-5-8-11(16)17/h2-8H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyASULXRVTETXVEC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.97
Rot. Bonds8

About 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid

5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid (PubChem CID 4955593) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
PubChem CID4955593
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid
SMILESCCCCCC(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-6-9(14)12-13-10(15)7-5-8-11(16)17/h2-8H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyASULXRVTETXVEC-UHFFFAOYSA-N
XLogP0.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
CID 57488644
CID 57488644
hexadecanoic acid;pentanedioic acid
CID 159789250
henicosane;tetracontanoic acid
CID 175935348
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
butane;hexanoic acid
CID 87467677
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid (CID 4955593) is 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid is CCCCCC(=O)NNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid?
The InChIKey is ASULXRVTETXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-4-6-9(14)12-13-10(15)7-5-8-11(16)17/h2-8H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid?
5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hexanoylhydrazinyl)-5-oxopentanoic acid is sourced from PubChem (CID 4955593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).