Boc-3,4-dehydro-pro-oh

C10H15NO4CAS 51154-06-4213.23 g/mol

Open in Covalent MOL file
OONOHO
AlkeneCarbamateCarboxylic 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 Ų
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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

PubChem CAS Common Chemistry NIST WebBook