Basic information
- CAS
683218-25-9- Standard SMILES
N#Cc1cccc(C(CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1- InChIKey
VTDRHDRSYRSZJX-UHFFFAOYSA-N- Molecular formula
- C25H20N2O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.14230712
Names & identifiers
- Preferred name
- Fmoc-(R)-3-Amino-3-(3-cyanophenyl)propionic acid
- IUPAC
- 3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
- English name
- 3-(3-Cyano-phenyl)-3-(9H-fluoren-9-ylmethoxy)carbonyl]amino) propanoic acid
- Molecular formula
- C25H20N2O4
- Molecular weight
- 412.44
Names & synonyms
Fmoc-(S)-3-Amino-3-(3-cyanophenyl)propionic acid(3S)-3-(3-cyanophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acidFmoc-(R)-3-Amino-3-(3-cyanophenyl)propionic acidAC1MC5MS, CTK4J4857, (3R)-3-(3-CYANOPHENYL)-3-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PROPANOIC ACID, (3R)-3-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, AG-F-75667, 517905-91-8Benzenepropanoic acid, 3-cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-(3-Cyano-phenyl)-3-(9H-fluoren-9-ylmethoxy)carbonyl]amino) propanoic acid
Database identifiers
- CAS
683218-25-9- PubChem CID
- 24902253
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 679
Physicochemical properties
- Boiling point
- 659.8 · 659.8±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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