(S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid

C₁₂H₁₉NO₄CAS 1129634-44-1241.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₁₉NO₄
Molar mass: 241.29 g/mol
Exact mass: 241.1314 Da
logP: 1.86Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1129634-44-1

SMILES

CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O

InChIKey

VEIYKHIPSJIVRK-QMMMGPOBSA-N

InChI

InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1

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Names and synonyms

1 names

(6S)-5-[(tert-Butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

Work with (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid

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-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-273 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-15-370 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-859 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-13-159 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-14-259 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-958 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-757 % similar 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-657 % similar

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

Same formula

3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl ester1002355-96-5 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate291775-59-2

Elsewhere

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