Boc-(R)-3-Amino-4-(3-thienyl)-butyric acid
Basic information
- CAS
269726-92-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccsc1- InChIKey
NMIXJPLQPAOBBV-SNVBAGLBSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- Boc-(R)-3-Amino-4-(3-thienyl)-butyric acid
- IUPAC
- (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-3-ylbutanoic acid
- English name
- BOC-(R)-3-AMINO-4-(3-THIENYL)-BUTYRIC ACID
- Molecular formula
- C13H19NO4S
- Molecular weight
- 285.36
Names & synonyms
269726-92-3Boc-(R)-3-Amino-4-(3-thienyl)-butyric acid(R)-3-((tert-butoxycarbonyl)amino)-4-(thiophen-3-yl)butanoic acidMFCD01860987(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-3-ylbutanoic acidBoc-(3-thienyl)-D-b-homoalanine(3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(thiophen-3-yl)butanoic acid(3R)-3-(tert-butoxycarbonylamino)-4-(3-thienyl)butanoic acidBoc-(3-thienyl)-D-|A-homoalanineAKOS026674300PS-12322CS-0179080
Show more names
BOC-D-β-Hmoc-3-THIRARECHEM AK PT B012Boc-D-b-HoAla(3-thienyl)-OHBOC-D-BETA-HOALA(3-THIENYL)-OHBOC-D-ALA(3-THIENYL)-(C*CH2)OHBoc-(3-thienyl)-D-β-homoalanineBOC-(3-THIENYL)-D-BETA-HOMOALANINEBoc-(R)-3-amino-4-(3-thienyl)-butyricaciBOC-(R)-3-AMINO-4-(3-THIENYL)BUTANOIC ACID
D86247F493427(R)-3-(Boc-amino)-4-(thiophen-3-yl)butanoic Acid
Database identifiers
- CAS
269726-92-3- PubChem CID
- 7009846
- EC Number
- 196-244-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 452.4 · 452.4±40.0 °C(Predicted)
- Density
- 1.216 · 1.216
- pka
- 4.44 · 4.44±0.10(Predicted)
- CAS DataBase Reference
- 269726 · 269726-92-3(CAS DataBase Reference)
- 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
- hazard_class
- IRRITANT
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Compound notes
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