N-Boc-(2R,3R,4S)-dolaproine

C₁₄H₂₅NO₅CAS 120205-50-7287.36 g/mol

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Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₄H₂₅NO₅
Molar mass: 287.36 g/mol
Exact mass: 287.1733 Da
logP: 2.12Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: R, R, Sin SMILES atom order

Identifiers

CAS number

120205-50-7

SMILES

C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)O

InChIKey

LNEHHTWYEBGHBY-OUAUKWLOSA-N

InChI

InChI=1S/C14H25NO5/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3,(H,16,17)/t9-,10+,11-/m1/s1

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Names and synonyms

1 names

(2R,3R)-3-((2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid

Work with N-Boc-(2R,3R,4S)-dolaproine

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-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-955 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-349 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-648 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-348 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-348 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-148 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-747 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-847 % similar

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

Elsewhere

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