chempirical

N-Boc-3,4-dehydro-L-proline methyl ester

C11H17NO4CAS 74844-93-2227.26 g/mol

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OONOO
AlkeneCarbamateEster

Properties

Molecular formula
C11H17NO4
Molar mass
227.26 g/mol
Exact mass
227.1158 Da
logP
1.33Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
74844-93-2
SMILES
COC(=O)[C@@H]1C=CCN1C(=O)OC(C)(C)C
InChIKey
YDQDZLXTPXNOKO-QMMMGPOBSA-N
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 1H-Pyrrole-1,2-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
  • 1H-Pyrrole-1,2-dicarboxylic acid, 2,5-dihydro-, 1-(1,1-dimethylethyl) 2-methyl ester, (S)-
  • 1-tert-Butyl 2-methyl (2S)-2,5-dihydro-1H-pyrrole-1,2-dicarboxylate
  • (s)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

Work with N-Boc-3,4-dehydro-L-proline methyl ester

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-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-258 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-954 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-654 % similar 1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-354 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-454 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-18-654 % similar (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-054 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-452 % similar

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

Same formula

(1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid159622-10-3 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate927679-54-7

Elsewhere

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