1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid

C₉H₁₅NO₄CAS 159749-28-7201.22 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₅NO₄
Molar mass: 201.22 g/mol
Exact mass: 201.1001 Da
logP: 1.08Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

159749-28-7

SMILES

CC(C)(C)OC(=O)N1CCC1C(=O)O

InChIKey

JWJVSDZKYYXDDN-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)

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Names and synonyms

1 names

Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester

Work with 1-[(tert-Butoxy)carbonyl]azetidine-2-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-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-981 % similar 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-670 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-668 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-865 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-263 % similar (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-162 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-762 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-13-160 % similar

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

Same formula

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid118133-15-6 1-Boc-azetidine-3-carboxylic acid142253-55-2 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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