Basic information
- CAS
114343-31-6- Standard SMILES
O=C(O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1- InChIKey
RXSSENVGBNPHJJ-LBPRGKRZSA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.11067264
Overview
structure given in first source
Names & identifiers
- Preferred name
- O-(N-Morpholinocarbonyl)-3-phenyllactic acid
- IUPAC
- (2S)-2-(morpholine-4-carbonyloxy)-3-phenylpropanoic acid
- English name
- O-(N-morpholinocarbonyl)-3-phenyllactic acid
- Molecular formula
- C14H17NO5
- Molecular weight
- 279.29
Names & synonyms
114343-31-6O-(N-Morpholinocarbonyl)-3-phenyllactic acidRefChem:167109MCPLSCHEMBL7287136DTXSID10921333RXSSENVGBNPHJJ-LBPRGKRZSA-N2(S)-morpholinocarbonyloxy-3-phenylpropionic acid2-[(Morpholine-4-carbonyl)oxy]-3-phenylpropanoic acid(2S)-2-[(Morpholine-4-carbonyl)oxy]-3-phenylpropanoic acid4-Morpholinecarboxylic acid, (1S)-1-carboxy-2-phenylethyl ester
Database identifiers
- CAS
114343-31-6- PubChem CID
- 195075
- DTXSID
DTXSID10921333
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 457.613 · 457.613±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.039 · 3.039±0.10(predicted)
Related reactions
6 records
Compound notes
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