3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid

C15H25NO4 — CID 166666579

IUPAC3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESCCOC(=O)CC1CC2(C1)CN(C(=O)O)C2C(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-20-11(17)6-10-7-15(8-10)9-16(13(18)19)12(15)14(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,19)
InChIKeyILAHOBNRGOWBAH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.74
Rot. Bonds3

About 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid

3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 166666579) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid
PubChem CID166666579
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESCCOC(=O)CC1CC2(C1)CN(C(=O)O)C2C(C)(C)C
InChIInChI=1S/C15H25NO4/c1-5-20-11(17)6-10-7-15(8-10)9-16(13(18)19)12(15)14(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,19)
InChIKeyILAHOBNRGOWBAH-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
3-tert-butyl-6-(4,5-dibromo-1-methylimidazol-2-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 174215664
ethyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate;2,2,2-trifluoroacetic acid
CID 166604463
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
tert-butyl 3-tert-butyl-6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 141475764
ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
CID 142578322
(2S,4S)-4-(2-ethoxy-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 142268518
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
(2S,3R)-2-(2-ethoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 140994864
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid (CID 166666579) is 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid is CCOC(=O)CC1CC2(C1)CN(C(=O)O)C2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is ILAHOBNRGOWBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-20-11(17)6-10-7-15(8-10)9-16(13(18)19)12(15)14(2,3)4/h10,12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 166666579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).