chempirical

Boc-D-ser-obzl

C15H21NO5CAS 141527-78-8295.33 g/mol

Open in Covalent MOL file
OONHOHOO
AlcoholCarbamateEster

Properties

Molecular formula
C15H21NO5
Molar mass
295.33 g/mol
Exact mass
295.1420 Da
logP
1.62Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
141527-78-8
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCC1=CC=CC=C1
InChIKey
BQADRZHPZVQGCW-GFCCVEGCSA-N
InChI
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m1/s1

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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

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

Same formula

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