(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid

C₁₇H₂₃NO₅CAS 143527-70-2321.37 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₂₃NO₅
Molar mass: 321.37 g/mol
Exact mass: 321.1576 Da
logP: 3.18Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

143527-70-2

SMILES

CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChIKey

VAHXMEZCPGHDBJ-QWHCGFSZSA-N

InChI

InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m0/s1

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Names and synonyms

1 names

(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid

Work with (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-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

(4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-168 % similar (4S,5R)-3-tert-Butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid196404-55-457 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-652 % similar Boc-N-methyl-L-phenylalanine37553-65-448 % similar N-Boc-N-methyl-D-phenylalanine85466-66-648 % similar Boc-D-phenylglycine33125-05-247 % similar tert-Butoxycarbonylamino-phenyl-acetic acid3601-66-947 % similar tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate452339-71-8 Boc-hyp(bzl)-oh54631-81-1

Elsewhere

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