Basic information
- CAS
172089-15-5- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCCc1ccc(O)cc1- InChIKey
OJSIHZGUZIMAHI-ZDUSSCGKSA-N- Molecular formula
- C16H24N2O5
- Average molar mass
- 324.37 g/mol
- Monoisotopic mass
- 324.16852187
Names & identifiers
- Preferred name
- Carbamic acid, [1-(hydroxymethyl)-2-[[2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
- IUPAC
- tert-butyl N-[(2S)-3-hydroxy-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxopropan-2-yl]carbamate
Names & synonyms
DTXSID701107327172089-15-5Carbamic acid, [1-(hydroxymethyl)-2-[[2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
Database identifiers
- CAS
172089-15-5- PubChem CID
- 165367307
- DTXSID
DTXSID701107327
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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