chempirical

N-Boc-cis-4-hydroxy-D-proline

C10H17NO5CAS 135042-12-5231.25 g/mol

Open in Covalent MOL file
OONOOHOH
AlcoholCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
135042-12-5
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O
InChIKey
BENKAPCDIOILGV-RNFRBKRXSA-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-/m1/s1

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Names and synonyms

1 names
  • (2R,4R)-N-Boc-4-hydroxypyrrolidine-2-carboxylic acid

Work with N-Boc-cis-4-hydroxy-D-proline

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 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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