2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid

C13H24N2O3 — CID 156529457

IUPAC2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid
SMILESCC(C)(C)C1COCC2(CCCNC2)N1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-7-18-9-13(15(10)11(16)17)5-4-6-14-8-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyBYLNVWPSKRTMRV-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.53
Rot. Bonds

About 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid

2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid (PubChem CID 156529457) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid
PubChem CID156529457
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid
SMILESCC(C)(C)C1COCC2(CCCNC2)N1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-12(2,3)10-7-18-9-13(15(10)11(16)17)5-4-6-14-8-13/h10,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyBYLNVWPSKRTMRV-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

1-tert-butyl-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 56924036
oxetan-3-yl 3-methylpiperidine-3-carboxylate
CID 102606693
1,8-diazaspiro[3.5]nonan-1-yl(oxolan-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850161
(3-methylmorpholin-4-yl)-(3-methylpiperidin-3-yl)methanone
CID 63130450
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
CID 153357180
tert-butyl N-[(4R)-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 155904737
bis(tert-butyl 2,6-diazaspiro[4.5]decane-6-carboxylate);oxalic acid
CID 91800935
(4S)-N-methyl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 97399273
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
CID 93046626
4-[(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240131

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid (CID 156529457) is 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid is CC(C)(C)C1COCC2(CCCNC2)N1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid?
The InChIKey is BYLNVWPSKRTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)10-7-18-9-13(15(10)11(16)17)5-4-6-14-8-13/h10,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid?
2-tert-butyl-4-oxa-1,8-diazaspiro[5.5]undecane-1-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-4-oxa-1,8-diazaspiro[5.5]undecane-1-carboxylic acid is sourced from PubChem (CID 156529457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).