9-azidononanoic acid

C9H17N3O2 — CID 15230549

IUPAC9-azidononanoic acid
SMILES[N-]=[N+]=NCCCCCCCCC(=O)O
InChIInChI=1S/C9H17N3O2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14/h1-8H2,(H,13,14)
InChIKeyCDKGQZWXTZZOCD-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.11
Rot. Bonds9

About 9-azidononanoic acid

9-azidononanoic acid (PubChem CID 15230549) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 9-azidononanoic acid.

Molecular Properties

Compound Name9-azidononanoic acid
PubChem CID15230549
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name9-azidononanoic acid
SMILES[N-]=[N+]=NCCCCCCCCC(=O)O
InChIInChI=1S/C9H17N3O2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14/h1-8H2,(H,13,14)
InChIKeyCDKGQZWXTZZOCD-UHFFFAOYSA-N
XLogP3.11
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

9-aminononanoic acid;9-azidononanoic acid
CID 159969853
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
6-azidohexanoyl chloride
CID 14580383
15-(azidomethyl)triacontanedioic acid
CID 172687977
6-azido-N-methylhexanamide
CID 130188396
tridecanedioic acid;undecanedioic acid
CID 158333715
14-azidotetradecane-2,5-dione
CID 135040428
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
triacontanedioic acid
CID 5322010
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of 9-azidononanoic acid?
The IUPAC name of 9-azidononanoic acid (CID 15230549) is 9-azidononanoic acid.
What is the SMILES notation for 9-azidononanoic acid?
The canonical SMILES for 9-azidononanoic acid is [N-]=[N+]=NCCCCCCCCC(=O)O.
What is the InChIKey of 9-azidononanoic acid?
The InChIKey is CDKGQZWXTZZOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14/h1-8H2,(H,13,14).
What are the key properties of 9-azidononanoic acid?
9-azidononanoic acid has a molecular weight of 199.25 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azidononanoic acid is sourced from PubChem (CID 15230549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).