8-amino-8-iminooctanoic acid

C8H16N2O2 — CID 139654610

IUPAC8-amino-8-iminooctanoic acid
SMILES[H]/N=C(\N)CCCCCCC(=O)O
InChIInChI=1S/C8H16N2O2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H3,9,10)(H,11,12)
InChIKeyZRCWNUCPGCSXEH-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.35
Rot. Bonds7

About 8-amino-8-iminooctanoic acid

8-amino-8-iminooctanoic acid (PubChem CID 139654610) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 8-amino-8-iminooctanoic acid.

Molecular Properties

Compound Name8-amino-8-iminooctanoic acid
PubChem CID139654610
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name8-amino-8-iminooctanoic acid
SMILES[H]/N=C(\N)CCCCCCC(=O)O
InChIInChI=1S/C8H16N2O2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H3,9,10)(H,11,12)
InChIKeyZRCWNUCPGCSXEH-UHFFFAOYSA-N
XLogP1.35
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

octadecanediimidamide;dihydrochloride
CID 24741615
1-carbamimidoylguanidine;octanedioic acid
CID 176518629
34-amino-34-oxotetratriacontanoic acid
CID 139682719
24-amino-24-oxotetracosanoic acid
CID 139682769
7-hydroxyheptanimidamide;hydrochloride
CID 158249360
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of 8-amino-8-iminooctanoic acid?
The IUPAC name of 8-amino-8-iminooctanoic acid (CID 139654610) is 8-amino-8-iminooctanoic acid.
What is the SMILES notation for 8-amino-8-iminooctanoic acid?
The canonical SMILES for 8-amino-8-iminooctanoic acid is [H]/N=C(\N)CCCCCCC(=O)O.
What is the InChIKey of 8-amino-8-iminooctanoic acid?
The InChIKey is ZRCWNUCPGCSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H3,9,10)(H,11,12).
What are the key properties of 8-amino-8-iminooctanoic acid?
8-amino-8-iminooctanoic acid has a molecular weight of 172.23 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-8-iminooctanoic acid is sourced from PubChem (CID 139654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).