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

C13H24N2O2 — CID 151865711

IUPAC3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCN1CC2(CCN(C(=O)O)CC2)C1C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10-13(9-14(10)4)5-7-15(8-6-13)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeySLQDNFFWVPKNSJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.11
Rot. Bonds

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

3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 151865711) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
PubChem CID151865711
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
SMILESCN1CC2(CCN(C(=O)O)CC2)C1C(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10-13(9-14(10)4)5-7-15(8-6-13)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeySLQDNFFWVPKNSJ-UHFFFAOYSA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 151865711) is 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is CN1CC2(CCN(C(=O)O)CC2)C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is SLQDNFFWVPKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)10-13(9-14(10)4)5-7-15(8-6-13)11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?
3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 151865711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).