Basic information
- CAS
40489-45-0- Standard SMILES
O=C(NC(CO)C(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
MHHDPGHZHFJLBZ-UHFFFAOYSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12632271
Names & identifiers
- Preferred name
- Benzyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
- IUPAC
- benzyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
40489-45-0benzyl 3-hydroxy-2-(phenylmethoxycarbonylamino)propanoateBENZYL 2-{[(BENZYLOXY)CARBONYL]AMINO}-3-HYDROXYPROPANOATEN-CBZ-DL-Serine benzyl esterCbz-Ser-OBzlBenzyl ((benzyloxy)carbonyl)serinateCbz-L-serine benzyl esterN-Cbz-serine benzyl esterSerine, N-[(phenylmethoxy)carbonyl]-, phenylmethyl esterMLS001359938SCHEMBL7032185CHEMBL1481421
Show more names
DTXSID50340160HMS3026F24NSC14164NSC-14164benzyl N-[(benzyloxy)carbonyl]serinateFC172043SMR001224340DS-012435
Database identifiers
- CAS
40489-45-0- PubChem CID
- 562178
- DTXSID
DTXSID50340160- ChEMBL
CHEMBL1481421
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility>49.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
1 records
Compound notes
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