17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid

C18H38N4O4 — CID 87380945

IUPAC17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCNNNNC(=O)O
InChIInChI=1S/C18H38N4O4/c23-17(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-22-20-18(25)26/h19-22H,1-16H2,(H,23,24)(H,25,26)
InChIKeyRUYSZLSFDDYSIZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.70
Rot. Bonds20

About 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid

17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid (PubChem CID 87380945) has the molecular formula C18H38N4O4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid.

Molecular Properties

Compound Name17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
PubChem CID87380945
Molecular FormulaC18H38N4O4
Molecular Weight374.53 g/mol
Exact Mass374.29
IUPAC Name17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCNNNNC(=O)O
InChIInChI=1S/C18H38N4O4/c23-17(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-22-20-18(25)26/h19-22H,1-16H2,(H,23,24)(H,25,26)
InChIKeyRUYSZLSFDDYSIZ-UHFFFAOYSA-N
XLogP3.70
TPSA122.72 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 53.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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

35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
CID 150834717
7-[2-(carboxyamino)hydrazinyl]heptanoic acid
CID 19902964
11-(2-hydrazinylhydrazinyl)undecanoic acid
CID 142469091
39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
CID 142420467
octanedioic acid;zinc
CID 87285694
heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid?
The IUPAC name of 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid (CID 87380945) is 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid.
What is the SMILES notation for 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid?
The canonical SMILES for 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCNNNNC(=O)O.
What is the InChIKey of 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid?
The InChIKey is RUYSZLSFDDYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O4/c23-17(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-21-22-20-18(25)26/h19-22H,1-16H2,(H,23,24)(H,25,26).
What are the key properties of 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid?
17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid has a molecular weight of 374.53 g/mol, XLogP of 3.70, 20 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid is sourced from PubChem (CID 87380945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).