chempirical

Boc-asp(ochx)-oh

C15H25NO6CAS 73821-95-1315.37 g/mol

Open in Covalent MOL file
OONHOOOHO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C15H25NO6
Molar mass
315.37 g/mol
Exact mass
315.1682 Da
logP
2.23Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
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
73821-95-1
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)O
InChIKey
NLPQIWFEEKQBBN-NSHDSACASA-N
InChI
InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1

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Work with Boc-asp(ochx)-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

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

Elsewhere

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