(3S,4S)-1-(tert-Butoxycarbonyl)-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
Basic information
- CAS
959581-75-0- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccs2)C1- InChIKey
CSPYESYABXQNBZ-NXEZZACHSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
Names & identifiers
- Preferred name
- (3S,4S)-1-(tert-Butoxycarbonyl)-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
- English name
- Boc-(trans)-4-(2-thienyl)-pyrrolidine-3-carboxylic acid
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
959581-75-0(3S,4S)-1-(tert-Butoxycarbonyl)-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acidBOC-(+/-)-TRANS-4-(2-THIENYL)-PYRROLIDINE-3-CARBOXYLIC ACIDtrans-N-Boc-4-(2-thienyl)pyrrolidine-3-carboxylic acid1330750-24-7(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-thiophen-2-ylpyrrolidine-3-carboxylic acidBOC-(TRANS)-4-(2-THIENYL)-PYRROLIDINE-3-CARBOXYLIC ACIDSCHEMBL16780354(3S,4S)-1-[(tert-butoxy)carbonyl]-4-(thiophen-2-yl)pyrrolidine-3-carboxylic acidAKOS015949977PS-12743DB-264573
Show more names
Boc-trans-DL-b-Pro-4-(2-thienyl)-OHBOC-TRANS-DL-PRO(2-THIENYL)-OHBoc-(3S,4S)-beta-Pro-4-(2-thienyl)-OH(3S,4S)-1-Boc-4-(2-thienyl)pyrrolidine-3-carboxylic acidBoc-(n)-trans-4-(2-thienyl)pyrrolidine-3-carboxylic AcidBoc-(±)-trans-4-(2-thienyl)-pyrrolidine-3-carboxylic acidBOC-(+/-)-TRANS-4-(2-THIENYL)PYRROLIDINE-3-CARBOXYLIC ACID1,3-Pyrrolidinedicarboxylic acid, 4-(2-thienyl)-, 1-(1,1-dimethylethyl) ester, (3S,4S)-
F16422(3S,4S)-1-tert-butoxycarbonyl-4-(2-thienyl)pyrrolidine-3-carboxylic acid(3S,4S)-1-(tert-Butoxycarbonyl)-4-(thiophen-2-yl)pyrrolidine-3-carboxylicacid
Database identifiers
- CAS
959581-75-0
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 449.141 · 449.141±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.22 · 4.220±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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