2-(2-octanoylhydrazinyl)-2-oxoacetic acid

C10H18N2O4 — CID 175747026

IUPAC2-(2-octanoylhydrazinyl)-2-oxoacetic acid
SMILESCCCCCCCC(=O)NNC(=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8(13)11-12-9(14)10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyRUFXBOYFUSQYDE-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.58
Rot. Bonds6

About 2-(2-octanoylhydrazinyl)-2-oxoacetic acid

2-(2-octanoylhydrazinyl)-2-oxoacetic acid (PubChem CID 175747026) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(2-octanoylhydrazinyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-octanoylhydrazinyl)-2-oxoacetic acid
PubChem CID175747026
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(2-octanoylhydrazinyl)-2-oxoacetic acid
SMILESCCCCCCCC(=O)NNC(=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8(13)11-12-9(14)10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyRUFXBOYFUSQYDE-UHFFFAOYSA-N
XLogP0.58
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-3-(octadecanoylamino)thiourea
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N'-[(2Z)-2-sulfanylpenta-2,4-dienoyl]heptanehydrazide
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N-decanoyldecanamide
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2-oxotricosanoic acid
CID 5312932
2-oxoheptadecanoic acid
CID 5312901
2-(heptanoylamino)but-2-enoic acid
CID 54363986
2-(octadecanoylamino)prop-2-enoic acid
CID 126504560

Frequently Asked Questions

What is the IUPAC name of 2-(2-octanoylhydrazinyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-octanoylhydrazinyl)-2-oxoacetic acid (CID 175747026) is 2-(2-octanoylhydrazinyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-octanoylhydrazinyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-octanoylhydrazinyl)-2-oxoacetic acid is CCCCCCCC(=O)NNC(=O)C(=O)O.
What is the InChIKey of 2-(2-octanoylhydrazinyl)-2-oxoacetic acid?
The InChIKey is RUFXBOYFUSQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-3-4-5-6-7-8(13)11-12-9(14)10(15)16/h2-7H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-(2-octanoylhydrazinyl)-2-oxoacetic acid?
2-(2-octanoylhydrazinyl)-2-oxoacetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octanoylhydrazinyl)-2-oxoacetic acid is sourced from PubChem (CID 175747026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).