Basic information
- CAS
19901-50-9- Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
SDSWSVBXRBXPRL-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- Boc-DL-phenylalanine methyl ester
- IUPAC
- methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
- English name
- BOC-DL-PHENYLALANINE METHYL ESTER
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
BOC-DL-PHENYLALANINE METHYL ESTER19901-50-9DTXSID20396396RefChem:330031DTXCID50347255methyl 2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoatemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoateMethyl (tert-butoxycarbonyl)-DL-phenylalaninateL-Boc-phenyl-alanine methyl estermethyl N-(tert-butoxycarbonyl)phenylalaninateSCHEMBL1196457methyl 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate
Show more names
Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
SDSWSVBXRBXPRL-UHFFFAOYSA-NAKOS009165362Methyl 2-(Boc-amino)-3-phenylpropanoateNS-04578PD195965SY523323ST50308661methyl 2-[(tert-butoxy)carbonylamino]-3-phenylpropanoate
Database identifiers
- CAS
19901-50-9- PubChem CID
- 3786800
- DTXSID
DTXSID20396396- Nikkaji
- J1.400.831D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 403.75 · 403.750±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.169 · 11.169±0.46(predicted)
Chemistry & industry
Suppliers3 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
12 records
Compound notes
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