(2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid

C₁₀H₁₇NO₅CAS 147266-92-0231.25 g/mol

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Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₇NO₅
Molar mass: 231.25 g/mol
Exact mass: 231.1107 Da
logP: 0.44Crippen estimate
Polar surface area: 87.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

147266-92-0

SMILES

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

InChIKey

BENKAPCDIOILGV-NKWVEPMBSA-N

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m0/s1

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Names and synonyms

1 names

N-Boc-4-hydroxy-D-proline, trans-

Work with (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid

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-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-13-170 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-14-270 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-968 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-668 % similar (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester74844-91-068 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-(methoxymethyl)-1,2-pyrrolidinedicarboxylate1378388-16-965 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-061 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-859 % similar

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

Same formula

(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-8 N-Boc-cis-4-hydroxy-D-proline135042-12-5 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-7 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6

Elsewhere

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