(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Properties
- Molecular formula
- C25H23NO4
- Molar mass
- 401.46 g/mol
- Exact mass
- 401.1627 Da
- logP
- 4.82Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
209252-16-4SMILES
O=C(O)C[C@@H](Cc1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21InChIKey
DQNUGHJJKNFCND-GOSISDBHSA-NInChI
InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-
- (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutyric acid
- (3R)-3-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-phenylbutanoic acid
- (R)-3-(Fmoc-amino)-4-phenylbutyric acid
Work with (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid269396-73-883 % similar
(βS)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270062-86-783 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid270062-97-083 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid270065-72-083 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-082 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid269398-84-781 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid270062-94-781 % similar
(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-877 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.