Fmoc-(S)-3-amino-3-phenylpropionic acid

C24H21NO4CAS 209252-15-3387.44 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C24H21NO4
Molar mass
387.44 g/mol
Exact mass
387.1471 Da
logP
4.74Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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
209252-15-3
SMILES
C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
PTSLRPMRTOVHAB-QFIPXVFZSA-N
InChI
InChI=1S/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-(S)-3-amino-3-phenylpropionic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Fmoc-(R)-3-amino-3-phenylpropionic acid220498-02-2Enantiomer

Similar compounds

Fmoc-(S)-3-amino-3-(4-bromo-phenyl)-propionic acid220497-68-782 % similar (S)-3-((((9H-Fluoren-9-YL)methoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid479064-91-082 % similar (3R)-3-(4-Chlorophenyl)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid479064-92-182 % similar Fmoc-(R)-3-amino-3-(3-pyridyl)-propionic acid511272-43-878 % similar Fmoc-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-973 % similar Fmoc-L-beta-homophenylalanine193954-28-870 % similar Fmoc-L-beta-homoalanine193954-26-669 % similar Fmoc-(S)-3-amino-5-phenylpentanoic acid219967-74-569 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl (2R,3S)-(-)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate100516-54-9 Fmoc-phe-oh286460-71-7 Fmoc-L-phenylalanine35661-40-6 Fmoc-D-phenylalanine86123-10-6

Elsewhere

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