chempirical

7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate

C14H23NO4CAS 873924-12-0269.34 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C14H23NO4
Molar mass
269.34 g/mol
Exact mass
269.1627 Da
logP
2.50Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
873924-12-0
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)O)C2
InChIKey
ASNXCLBPISBIFU-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-14(5-7-15)8-10(9-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)

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Names and synonyms

2 names
  • 7-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester
  • 7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

Work with 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Boc-azetidine-3-carboxylic acid142253-55-265 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-763 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-361 % similar 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-859 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-456 % similar 1,1-Dimethylethyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate169206-67-155 % similar 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate927679-54-755 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125971-94-0 tert-Butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate135716-08-4

Elsewhere

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