chempirical

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

C19H19NO4CAS 153652-70-1325.36 g/mol

Open in Covalent MOL file
NOOOHO
AmideCarboxylic acidEther

Properties

Molecular formula
C19H19NO4
Molar mass
325.36 g/mol
Exact mass
325.1314 Da
logP
3.09Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
153652-70-1
SMILES
CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C
InChIKey
AQOXAQNPPJHPAD-JKSUJKDBSA-N
InChI
InChI=1S/C19H19NO4/c1-19(2)20(17(21)14-11-7-4-8-12-14)15(16(24-19)18(22)23)13-9-5-3-6-10-13/h3-12,15-16H,1-2H3,(H,22,23)/t15-,16+/m0/s1

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Work with (4S,5R)-3-Benzoyl-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

1-Benzoyl-4-piperidinecarboxylic acid5274-99-743 % similar trans-1-Benzoyl-4-phenyl-L-proline120851-71-043 % similar (+)-Dibenzoyltartaric acid17026-42-542 % similar L-Dibenzoyltartaric acid2743-38-642 % similar O,O′-Dibenzoyl-(2R,3R)-tartaric acid monohydrate62708-56-939 % similar D-(+)-Dibenzoyl tartaric acid monohydrate80822-15-739 % similar (+)-Methoxyphenylacetic acid26164-26-139 % similar (-)-Methoxyphenylacetic acid3966-32-339 % similar

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

Same formula

Fmoc-gamma-abu-oh116821-47-7 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-5 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-7 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-0

Elsewhere

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