Boc-3,4-dehydro-pro-oh

C₁₀H₁₅NO₄CAS 51154-06-4213.23 g/mol

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Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₅NO₄
Molar mass: 213.23 g/mol
Exact mass: 213.1001 Da
logP: 1.25Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

51154-06-4

SMILES

CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)O

InChIKey

BMIGSRMSSCUMAZ-ZETCQYMHSA-N

InChI

InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)/t7-/m0/s1

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Names and synonyms

1 names

(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Work with Boc-3,4-dehydro-pro-oh

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

N-Boc-3,4-dehydro-L-proline methyl ester74844-93-265 % similar (2S,4S)-N-Boc-4-methylpyrrolidine-2-carboxylic acid364750-81-259 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-756 % similar Boc-D-azetidine-2-carboxylic acid228857-58-756 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-656 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-554 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-754 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-054 % similar

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

Same formula

3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-5 (R)-N-Boc-propargylglycine63039-46-3 tert-Butyl 2,4-dioxopiperidine-1-carboxylate845267-78-9

Elsewhere

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