9-aminononanoic acid;9-azidononanoic acid

C18H36N4O4 — CID 159969853

IUPAC9-aminononanoic acid;9-azidononanoic acid
SMILESNCCCCCCCCC(=O)O.[N-]=[N+]=NCCCCCCCCC(=O)O
InChIInChI=1S/C9H17N3O2.C9H19NO2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14;10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,13,14);1-8,10H2,(H,11,12)
InChIKeyOEKFNKQOCHPYAT-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.87
Rot. Bonds17

About 9-aminononanoic acid;9-azidononanoic acid

9-aminononanoic acid;9-azidononanoic acid (PubChem CID 159969853) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 9-aminononanoic acid;9-azidononanoic acid.

Molecular Properties

Compound Name9-aminononanoic acid;9-azidononanoic acid
PubChem CID159969853
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Name9-aminononanoic acid;9-azidononanoic acid
SMILESNCCCCCCCCC(=O)O.[N-]=[N+]=NCCCCCCCCC(=O)O
InChIInChI=1S/C9H17N3O2.C9H19NO2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14;10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,13,14);1-8,10H2,(H,11,12)
InChIKeyOEKFNKQOCHPYAT-UHFFFAOYSA-N
XLogP4.87
TPSA149.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 9-aminononanoic acid;9-azidononanoic 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

9-azidononanoic acid
CID 15230549
9-azidononan-1-amine
CID 122424851
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448

Frequently Asked Questions

What is the IUPAC name of 9-aminononanoic acid;9-azidononanoic acid?
The IUPAC name of 9-aminononanoic acid;9-azidononanoic acid (CID 159969853) is 9-aminononanoic acid;9-azidononanoic acid.
What is the SMILES notation for 9-aminononanoic acid;9-azidononanoic acid?
The canonical SMILES for 9-aminononanoic acid;9-azidononanoic acid is NCCCCCCCCC(=O)O.[N-]=[N+]=NCCCCCCCCC(=O)O.
What is the InChIKey of 9-aminononanoic acid;9-azidononanoic acid?
The InChIKey is OEKFNKQOCHPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.C9H19NO2/c10-12-11-8-6-4-2-1-3-5-7-9(13)14;10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,13,14);1-8,10H2,(H,11,12).
What are the key properties of 9-aminononanoic acid;9-azidononanoic acid?
9-aminononanoic acid;9-azidononanoic acid has a molecular weight of 372.51 g/mol, XLogP of 4.87, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminononanoic acid;9-azidononanoic acid is sourced from PubChem (CID 159969853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).