chempirical

1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride

C11H21ClN2O4CAS 334999-32-5280.75 g/mol

Open in Covalent MOL file
OONH2NOOHCl
CarbamateEsterPrimary amine

Properties

Molecular formula
C11H21ClN2O4
Molar mass
280.75 g/mol
Exact mass
280.1190 Da
logP
0.92Crippen estimate
Polar surface area
81.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
334999-32-5
SMILES
COC(=O)[C@@H]1C[C@@H](N)CN1C(=O)OC(C)(C)C.Cl
InChIKey
KFYCQKLSGMAVQH-WLYNEOFISA-N
InChI
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;/h7-8H,5-6,12H2,1-4H3;1H/t7-,8+;/m1./s1

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Names and synonyms

3 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2S,4R)-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 2-methyl ester, monohydrochloride, (2S,4R)-
  • (2S,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid methyl ester hydrochloride

Work with 1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride

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,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-393 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-965 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-665 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-16-465 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-18-665 % similar (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-065 % similar 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate487048-28-261 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-255 % similar

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

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