3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid
Basic information
- CAS
204716-17-6- Standard SMILES
NC(=O)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1- InChIKey
MUNGLNMRFZUOTD-UHFFFAOYSA-N- Molecular formula
- C25H22N2O5
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.1528718
Names & identifiers
- Preferred name
- 3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid
- IUPAC
- 3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
- English name
- Fmoc-d, L-Phe(4-c(o)NH2)
- Molecular formula
- C25H22N2O5
- Molecular weight
- 430.45
Names & synonyms
3-(4-carbamoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid3-(4-Carbamoyl-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acidFmoc-4-carbamoylphenylalanineSCHEMBL1054730DTXSID70426011MUNGLNMRFZUOTD-UHFFFAOYSA-N4-Carbamoyl-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}phenylalanine266999-16-0FMOC-L-4-CARBAMOYLPHE(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-carbamoylphenyl)propanoic acidFmoc-F(4CON)FMOC-PHE(4-CONH2)-OH
Show more names
FMOC-PHE(P-CONH2)-OHFMOC-L-PHE(4-C(O)NH2)Fmoc-carbamoyl-phe-OHFmoc-d, L-Phe(4-c(o)NH2)FMOC-L-4-CARBAMOYLPHENYLALANINE
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 713.4 · 713.4±60.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBoc-Dap(Boc)-OH is an amino acid derivative with a Boc protecting group and can be used in the synthesis of primary amides[1].
Related reactions
3 records
Compound notes
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