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

C₁₄H₂₅NO₅CAS 120205-50-7287.36 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Boc-L-proline15761-39-459 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-159 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-059 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-955 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-055 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-855 % similar N-Boc-2-piperidinecarboxylic acid98303-20-955 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,3R,4R)-3-(Boc-amino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester365997-33-7

Elsewhere

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