3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C12H22N2O2 — CID 71775947

IUPAC3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1NCC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)9-12(8-13-9)4-6-14(7-5-12)10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyJODNBZAUSJTCKA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.76
Rot. Bonds

About 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 71775947) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID71775947
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1NCC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H22N2O2/c1-11(2,3)9-12(8-13-9)4-6-14(7-5-12)10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyJODNBZAUSJTCKA-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 71775947) is 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)C1NCC12CCN(C(=O)O)CC2.
What is the InChIKey of 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is JODNBZAUSJTCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)9-12(8-13-9)4-6-14(7-5-12)10(15)16/h9,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 71775947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).