chempirical

H-Dap(boc)-ome hcl

C9H19ClN2O4CAS 114559-25-0254.71 g/mol

Open in Covalent MOL file
OONHOONH2HCl
CarbamateEsterPrimary amine

Properties

Molecular formula
C9H19ClN2O4
Molar mass
254.71 g/mol
Exact mass
254.1033 Da
logP
0.43Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
114559-25-0
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)N.Cl
InChIKey
GDJLJNFNXINTHS-RGMNGODLSA-N
InChI
InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1

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Work with H-Dap(boc)-ome hcl

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

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

Elsewhere

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