1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid

C13H24N2O2 — CID 56924036

IUPAC1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC12CCCNC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10-13(5-4-7-14-9-13)6-8-15(10)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeySZOGTWYQEXIZAV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.15
Rot. Bonds

About 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid

1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 56924036) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID56924036
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)(C)C1N(C(=O)O)CCC12CCCNC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)10-13(5-4-7-14-9-13)6-8-15(10)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeySZOGTWYQEXIZAV-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
8-benzyl-1-tert-butyl-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 68926998
(4R)-3-tert-butyl-6-azaspiro[3.5]nonane
CID 171594443
2-tert-butyl-1,4-diazepane-1-carboxylic acid
CID 54024721
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid
CID 156529457
bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
CID 162368130
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
2-(2-fluoropropan-2-yl)-5-azaspiro[2.5]octane
CID 115013917
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid (CID 56924036) is 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid is CC(C)(C)C1N(C(=O)O)CCC12CCCNC2.
What is the InChIKey of 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is SZOGTWYQEXIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)10-13(5-4-7-14-9-13)6-8-15(10)11(16)17/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 56924036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).