3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

C18H24N2O3 — CID 91379488

IUPAC3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESCC(C)(C)c1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)14-6-4-13(5-7-14)15-12-18(23-19-15)8-10-20(11-9-18)16(21)22/h4-7,12,19H,8-11H2,1-3H3,(H,21,22)
InChIKeyVZEKXXSPSZZOPU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.37
Rot. Bonds1

About 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (PubChem CID 91379488) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
PubChem CID91379488
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESCC(C)(C)c1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)14-6-4-13(5-7-14)15-12-18(23-19-15)8-10-20(11-9-18)16(21)22/h4-7,12,19H,8-11H2,1-3H3,(H,21,22)
InChIKeyVZEKXXSPSZZOPU-UHFFFAOYSA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Tert-butylphenyl)-1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]prop-2-en-1-one
CID 91223295
Tert-butyl 3-(4-cyanophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 57249161
Tert-butyl 3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90704272
2-[(4-Tert-butylphenyl)methylidene]-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)butan-1-one
CID 90748659
2-Tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid
CID 90754710
2-(4-Tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
CID 90817541
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(2-phenylethyl)carbamate
CID 90845726
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-phenylethyl)carbamate
CID 90854688
N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90864831
1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-tert-butylphenyl)methyl]carbamate
CID 90902219
Tert-butyl 3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxylate
CID 90920602
3-(4-Tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
CID 90927298

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (CID 91379488) is 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is CC(C)(C)c1ccc(C2=CC3(CCN(C(=O)O)CC3)ON2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The InChIKey is VZEKXXSPSZZOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)14-6-4-13(5-7-14)15-12-18(23-19-15)8-10-20(11-9-18)16(21)22/h4-7,12,19H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is sourced from PubChem (CID 91379488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).