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

C₁₁H₂₁ClN₂O₄CAS 171110-72-8280.75 g/mol

Open in Covalent MOL file

Carbamate Ester Primary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

171110-72-8

SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N.Cl

InChIKey

KFYCQKLSGMAVQH-WSZWBAFRSA-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-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

N-Boc-cis-4-amino-L-proline methyl ester hydrochloride

Work with (2S,4S)-1-tert-Butyl 2-methyl 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-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-065 % 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

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

Same formula

1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride334999-32-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook