35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid

C36H76N6O4 — CID 150834717

IUPAC35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNC(=O)O
InChIInChI=1S/C36H76N6O4/c43-35(44)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-39-41-42-40-38-36(45)46/h37-42H,1-34H2,(H,43,44)(H,45,46)
InChIKeyKMSRVJBUGKJIQF-UHFFFAOYSA-N
MW657.04 g/mol
LogP9.73
Rot. Bonds40

About 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid

35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid (PubChem CID 150834717) has the molecular formula C36H76N6O4 and a molecular weight of 657.04 g/mol. Its IUPAC name is 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid.

Molecular Properties

Compound Name35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
PubChem CID150834717
Molecular FormulaC36H76N6O4
Molecular Weight657.04 g/mol
Exact Mass656.59
IUPAC Name35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNC(=O)O
InChIInChI=1S/C36H76N6O4/c43-35(44)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-39-41-42-40-38-36(45)46/h37-42H,1-34H2,(H,43,44)(H,45,46)
InChIKeyKMSRVJBUGKJIQF-UHFFFAOYSA-N
XLogP9.73
TPSA146.78 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds40
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500657.04
LogP ≤ 59.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

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

17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
CID 87380945
7-[2-(carboxyamino)hydrazinyl]heptanoic acid
CID 19902964
39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
CID 142420467
11-(2-hydrazinylhydrazinyl)undecanoic acid
CID 142469091
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 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid?
The IUPAC name of 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid (CID 150834717) is 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid.
What is the SMILES notation for 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid?
The canonical SMILES for 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNNC(=O)O.
What is the InChIKey of 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid?
The InChIKey is KMSRVJBUGKJIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N6O4/c43-35(44)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-39-41-42-40-38-36(45)46/h37-42H,1-34H2,(H,43,44)(H,45,46).
What are the key properties of 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid?
35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid has a molecular weight of 657.04 g/mol, XLogP of 9.73, 40 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid is sourced from PubChem (CID 150834717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).