2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

C13H24N2O3 — CID 91212132

IUPAC2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(C)(C)C1CNCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-8-14-9-13(18-10)4-6-15(7-5-13)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyATDWPPXYLBWQBI-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.53
Rot. Bonds

About 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid

2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 91212132) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID91212132
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESCC(C)(C)C1CNCC2(CCN(C(=O)O)CC2)O1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-8-14-9-13(18-10)4-6-15(7-5-13)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyATDWPPXYLBWQBI-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118562479
2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
CID 65103646
acetic acid;tert-butyl 2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202721
tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
CID 129069930
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
CID 178134265
2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 66665348
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90725084
tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
CID 129073943
2,6-ditert-butylmorpholine;oxalic acid
CID 121023541
2-tert-butyl-3-(3-hydroxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 67402456

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid (CID 91212132) is 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is CC(C)(C)C1CNCC2(CCN(C(=O)O)CC2)O1.
What is the InChIKey of 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is ATDWPPXYLBWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)10-8-14-9-13(18-10)4-6-15(7-5-13)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid?
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 91212132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).