7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

C12H18N4O3 — CID 178035502

IUPAC7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
SMILES[N-]=[N+]=NCCC(=O)N1CCC2(CC1)CC(C(=O)O)C2
InChIInChI=1S/C12H18N4O3/c13-15-14-4-1-10(17)16-5-2-12(3-6-16)7-9(8-12)11(18)19/h9H,1-8H2,(H,18,19)
InChIKeyWCZLCWZDICOOEI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.79
Rot. Bonds4

About 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 178035502) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
PubChem CID178035502
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
SMILES[N-]=[N+]=NCCC(=O)N1CCC2(CC1)CC(C(=O)O)C2
InChIInChI=1S/C12H18N4O3/c13-15-14-4-1-10(17)16-5-2-12(3-6-16)7-9(8-12)11(18)19/h9H,1-8H2,(H,18,19)
InChIKeyWCZLCWZDICOOEI-UHFFFAOYSA-N
XLogP1.79
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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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Frequently Asked Questions

What is the IUPAC name of 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid (CID 178035502) is 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid is [N-]=[N+]=NCCC(=O)N1CCC2(CC1)CC(C(=O)O)C2.
What is the InChIKey of 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is WCZLCWZDICOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-15-14-4-1-10(17)16-5-2-12(3-6-16)7-9(8-12)11(18)19/h9H,1-8H2,(H,18,19).
What are the key properties of 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid?
7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-azidopropanoyl)-7-azaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 178035502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).