(2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acid
Basic information
- CAS
281655-61-6- Standard SMILES
O=C(N[C@@H](Cc1cnc2ccccc2c1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
HZZZBOUYIXBVNP-VWLOTQADSA-N- Molecular formula
- C27H22N2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.15795719
Names & identifiers
- Preferred name
- (2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-3-ylpropanoic acid
- English name
- Fmoc-3-(3'-quinolyl)-L-alanine
- Molecular formula
- C27H22N2O4
- Molecular weight
- 438.47
Names & synonyms
281655-61-6(2S)-2-([(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO)-3-(QUINOLIN-3-YL)PROPANOIC ACID(2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-(QUINOLIN-3-YL)PROPANOIC ACID(2S)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acidRefChem:397946831-362-5FMOC-3-(3'-QUINOLYL)-L-ALANINEMFCD01632017Fmoc-3-(3-Quinolyl)-Ala-OH(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-3-ylpropanoic acid(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acidFmoc-Ala(3'-Quinolyl)-OH
Show more names
3-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-Fmoc-3-(3-Quinolil)-L-Ala-OH(S)-N-Fmoc-b-(quinolin-3-yl)alanine
SCHEMBL6499381SCHEMBL29679135N-Fmoc-L-3-(3-quinolyl)alanineGLA65561N-Fmoc-3-(3-quinolyl)-L-alanineAKOS026739656FMOC-3-(3-QUINOLYL)-L-ALA-OHFMOC-L-ALA[3-(3-QUINOLINYL)]
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Melting point
- 146 · 146-148 °C
- Boiling point
- 697.5 · 697.5±55.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.32 · 3.32±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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