6-amino-8-aminooxy-8-oxooctanoic acid

C8H16N2O4 — CID 175277198

IUPAC6-amino-8-aminooxy-8-oxooctanoic acid
SMILESNOC(=O)CC(N)CCCCC(=O)O
InChIInChI=1S/C8H16N2O4/c9-6(5-8(13)14-10)3-1-2-4-7(11)12/h6H,1-5,9-10H2,(H,11,12)
InChIKeyICBCPPHFSBMBTA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.23
Rot. Bonds7

About 6-amino-8-aminooxy-8-oxooctanoic acid

6-amino-8-aminooxy-8-oxooctanoic acid (PubChem CID 175277198) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-amino-8-aminooxy-8-oxooctanoic acid.

Molecular Properties

Compound Name6-amino-8-aminooxy-8-oxooctanoic acid
PubChem CID175277198
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name6-amino-8-aminooxy-8-oxooctanoic acid
SMILESNOC(=O)CC(N)CCCCC(=O)O
InChIInChI=1S/C8H16N2O4/c9-6(5-8(13)14-10)3-1-2-4-7(11)12/h6H,1-5,9-10H2,(H,11,12)
InChIKeyICBCPPHFSBMBTA-UHFFFAOYSA-N
XLogP-0.23
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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'}

Analyze 6-amino-8-aminooxy-8-oxooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-aminodocosanedioic acid
CID 57269564
6,12-diaminoheptadecanedioic acid
CID 23455605
5-aminododecanedioic acid
CID 3835680
6-amino-7-aminooxy-7-oxoheptanoic acid
CID 87229165
7-aminoundecanoic acid
CID 87457372
9-aminopentadecanoic acid
CID 87304604
11-aminotetradecanoic acid
CID 87305919
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
2-[(5-aminooxy-5-oxopentanoyl)oxyamino]tetradecanedioic acid
CID 174980846
3-methylicosanedioic acid
CID 87117627
(3R)-3-methyltetradecanedioic acid
CID 142577447

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-aminooxy-8-oxooctanoic acid?
The IUPAC name of 6-amino-8-aminooxy-8-oxooctanoic acid (CID 175277198) is 6-amino-8-aminooxy-8-oxooctanoic acid.
What is the SMILES notation for 6-amino-8-aminooxy-8-oxooctanoic acid?
The canonical SMILES for 6-amino-8-aminooxy-8-oxooctanoic acid is NOC(=O)CC(N)CCCCC(=O)O.
What is the InChIKey of 6-amino-8-aminooxy-8-oxooctanoic acid?
The InChIKey is ICBCPPHFSBMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-6(5-8(13)14-10)3-1-2-4-7(11)12/h6H,1-5,9-10H2,(H,11,12).
What are the key properties of 6-amino-8-aminooxy-8-oxooctanoic acid?
6-amino-8-aminooxy-8-oxooctanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-aminooxy-8-oxooctanoic acid is sourced from PubChem (CID 175277198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).