8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid

C20H30N2O2 — CID 68926998

IUPAC8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H30N2O2/c1-19(2,3)17-20(11-14-22(17)18(23)24)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,23,24)
InChIKeyWJDQMXJXLABCET-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.07
Rot. Bonds2

About 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid

8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 68926998) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID68926998
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H30N2O2/c1-19(2,3)17-20(11-14-22(17)18(23)24)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,23,24)
InChIKeyWJDQMXJXLABCET-UHFFFAOYSA-N
XLogP4.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
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CID 103574365
2-(1-benzyl-4-hydroxypiperidin-4-yl)-2,2-difluoroacetic acid
CID 62399064
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
1-benzyl-4-(diethylamino)piperidine-4-carboxylic acid
CID 43803654
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-phenylethanone;hydrobromide
CID 67119844
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid (CID 68926998) is 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid is CC(C)(C)C1N(C(=O)O)CCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is WJDQMXJXLABCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,3)17-20(11-14-22(17)18(23)24)9-12-21(13-10-20)15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,23,24).
What are the key properties of 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 330.47 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 68926998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).