5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid

C14H26N2O2 — CID 130301440

IUPAC5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(C)(C)C1CCNCC12CCN(C(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)11-4-7-15-10-14(11)5-8-16(9-6-14)12(17)18/h11,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyAHNYITKKHOJNRQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.40
Rot. Bonds

About 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid

5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 130301440) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID130301440
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(C)(C)C1CCNCC12CCN(C(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)11-4-7-15-10-14(11)5-8-16(9-6-14)12(17)18/h11,15H,4-10H2,1-3H3,(H,17,18)
InChIKeyAHNYITKKHOJNRQ-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 56924036
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90725084
(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
CID 171594443
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
CID 90908477
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
(4-tert-butylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63141988

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid (CID 130301440) is 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid is CC(C)(C)C1CCNCC12CCN(C(=O)O)CC2.
What is the InChIKey of 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is AHNYITKKHOJNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)11-4-7-15-10-14(11)5-8-16(9-6-14)12(17)18/h11,15H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 130301440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).