3-[(Tert-butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Basic information
- CAS
284492-37-1- Standard SMILES
COc1ccc(C(CC(=O)O)NC(=O)OC(C)(C)C)cc1OC- InChIKey
NOEVPXYRCVCOIV-UHFFFAOYSA-N- Molecular formula
- C16H23NO6
- Average molar mass
- 325.36 g/mol
- Monoisotopic mass
- 325.15253745
Names & identifiers
- Preferred name
- 3-[(Tert-butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
- IUPAC
- 3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- 3-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DIMETHOXY-PHENYL)-PROPIONIC ACID
- Molecular formula
- C16H23NO6
- Molecular weight
- 325.36
Names & synonyms
284492-37-13-[(tert-butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)propanoic acidMFCD019317393-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid3-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acidBoc-(S)-3-amino-3-(3,4-dimethoxyphenyl)propionic acid3- tert -Butoxycarbonylamino-3-(3,4-dimethoxy-phenyl)-propionic acid3-tert-Butoxycarbonylamino-3-(3,4-dimethoxy-phenyl)-propionic acid(S)-Boc-3,4-dimethoxy-beta-Phe-OHSCHEMBL3350832DTXSID20377387
Show more names
RARECHEM AK HT T253N-Boc-DL-3-Amino-3-(3,4-dimethoxyphenyl)propanoic acidBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-dimethoxy-
NOEVPXYRCVCOIV-UHFFFAOYSA-N(R)-Boc-3,4-dimethoxy-beta-Phe-OHAKOS001606633AKOS016340114AB15149AB15219N12901EN300-1071812
Database identifiers
- CAS
284492-37-1- PubChem CID
- 2764293
- DTXSID
DTXSID20377387
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 130 · 130-131°C
- Boiling point
- 483.9 · 483.9±45.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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