Basic information
- CAS
96363-20-1- Standard SMILES
COc1ccc(C(CC(=O)O)NC(=O)OC(C)(C)C)cc1- InChIKey
OPAAZWPTEYZZIW-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- 3-[(Tert-butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
- IUPAC
- 3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- 3-N-Boc-Amino-3-(4-methoxyphenyl)propionic acid
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
96363-20-13-[(tert-butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid3-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoic acidMFCD020906943-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid3-N-Boc-3-(4-methoxyphenyl)propionic acid3-{[(tert-butoxy)carbonyl]amino}-3-(4-methoxyphenyl)propanoic acid3-N-Boc-Amino-3-(4-methoxyphenyl)propionic acidBoc-beta-3-(4-methoxyphenyl)alanineboc-3-amino-3-(4-methoxyphenyl)propionic acidBoc-(S)-3-amino-3-(4-methoxyphenyl)propionic acid3-(Boc-amino)-3-(4-methoxyphenyl)propionic acid
Show more names
RARECHEM AK HT T257N-Boc-3-amino-3-(4-methoxyphenyl)propionic AcidBoc-(RS)-3-Amino-3-(4-methylphenyl)-propionic acid3-N-BOC-Amino-3-(4-methoxyphenyl)propionic acid,95%3-TERT-BUTOXYCARBONYLAMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID3-N-(TERT-BUTOXYCARBONYL)-AMINO-3-(4-METHOXYPHENYL)PROPIONIC ACID
SMR000034065Boc-(R)-3-amino-3-(4-methoxyphenyl)propionic acidMLS0000782103-((tert-Butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoicacid3-[(tert-butoxy)carbonylamino]-3-(4-methoxyphenyl)propanoic acid3-[(tert-Butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoicacidBoc-beta-DL-Tyr(Me)-OHBoc-3-amino-3-(4-methoxyphenyl)-propionic acid
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 167 · 167-169°C (dec.)
- Boiling point
- 437.02 °C · 437.02°C (rough estimate)
- Density
- 1.1454 · 1.1454 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Freezer (-20°C)
- pka
- 4.38 · 4.38±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 5586996 · 5586996
- CAS DataBase Reference
- 96363 · 96363-20-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-[(tert-Butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic Acid is a useful compound for synthesis and study of antitumor activity of peptidyl epoxyketone proteasome inhibitors composed of β-amino acids.
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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