Basic information
- CAS
959575-09-8- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](c2cccc(O)c2)C1- InChIKey
DPOXPYJPMOPXDB-OLZOCXBDSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Names & identifiers
- Preferred name
- (3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3R,4S)-4-(3-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
- English name
- trans-1-Boc-4-(3-hydroxyphenyl)-pyrrolidine-3-carboxylic acid
- Molecular formula
- C16H21NO5
- Molecular weight
- 307.34
Names & synonyms
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid959575-09-81392214-14-02227649-77-4(3R,4S)-4-(3-hydroxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acidrac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acidtrans-1-Boc-4-(3-hydroxyphenyl)-pyrrolidine-3-carboxylic acidDTXSID10719313(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid(3R,4S)-1-tert-butoxycarbonyl-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acidCS-0053785
Show more names
Boc-(±)-trans-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid1,3-Pyrrolidinedicarboxylic acid, 4-(3-hydroxyphenyl)-, 1-(1,1-dimethylethyl) ester1,3-Pyrrolidinedicarboxylic acid, 4-(3-hydroxyphenyl)-, 1-(1,1-dimethylethyl) ester, (3S,4R)-
P10384EN300-1454733(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylicacid
Database identifiers
- CAS
959575-09-8- PubChem CID
- 56972008
- DTXSID
DTXSID10719313
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 491.4 · 491.4±45.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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