chempirical

Boc-hyp(bzl)-oh

C17H23NO5CAS 54631-81-1321.37 g/mol

Open in Covalent MOL file
OONOHOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C17H23NO5
Molar mass
321.37 g/mol
Exact mass
321.1576 Da
logP
2.67Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54631-81-1
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)OCC2=CC=CC=C2
InChIKey
DGIGGVANZFKXLS-KGLIPLIRSA-N
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14+/m1/s1

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Work with Boc-hyp(bzl)-oh

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

Fmoc-hyp(bzl)-oh174800-02-363 % similar Boc-N-methyl-L-phenylalanine37553-65-458 % similar N-Boc-N-methyl-D-phenylalanine85466-66-658 % similar (2S,4S)-N-Boc-4-methylpyrrolidine-2-carboxylic acid364750-81-258 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-557 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-757 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-057 % similar N-Boc-cis-4-hydroxy-L-proline87691-27-857 % similar

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

Same formula

(4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid143527-70-2 1,1-Dimethylethyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate452339-71-8

Elsewhere

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