8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid

C8H18N4O3 — CID 150549716

IUPAC8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid
SMILESNN(N)NC(=O)CCCCCCC(=O)O
InChIInChI=1S/C8H18N4O3/c9-12(10)11-7(13)5-3-1-2-4-6-8(14)15/h1-6,9-10H2,(H,11,13)(H,14,15)
InChIKeyIHPQIMBYTIHBEF-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.51
Rot. Bonds8

About 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid

8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid (PubChem CID 150549716) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid
PubChem CID150549716
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Name8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid
SMILESNN(N)NC(=O)CCCCCCC(=O)O
InChIInChI=1S/C8H18N4O3/c9-12(10)11-7(13)5-3-1-2-4-6-8(14)15/h1-6,9-10H2,(H,11,13)(H,14,15)
InChIKeyIHPQIMBYTIHBEF-UHFFFAOYSA-N
XLogP-0.51
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid?
The IUPAC name of 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid (CID 150549716) is 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid is NN(N)NC(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid?
The InChIKey is IHPQIMBYTIHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c9-12(10)11-7(13)5-3-1-2-4-6-8(14)15/h1-6,9-10H2,(H,11,13)(H,14,15).
What are the key properties of 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid?
8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid has a molecular weight of 218.26 g/mol, XLogP of -0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-diaminohydrazinyl)-8-oxooctanoic acid is sourced from PubChem (CID 150549716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).