Boc-4-amino-L-phenylalanine

C₁₄H₂₀N₂O₄CAS 55533-24-9280.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Primary amine

Properties

Molecular formula: C₁₄H₂₀N₂O₄
Molar mass: 280.32 g/mol
Exact mass: 280.1423 Da
logP: 1.79Crippen estimate
Polar surface area: 101.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

55533-24-9

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)O

InChIKey

NDMVQEZKACRLDP-NSHDSACASA-N

InChI

InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1

Weigh it out

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

Work with Boc-4-amino-L-phenylalanine

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.

4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-2Enantiomer

Similar compounds

Boc-D-tyr-oh70642-86-378 % similar Boc-dl-phe-oh4530-18-176 % similar Boc-4-iodo-D-phenylalanine176199-35-275 % similar Boc-L-4-fluorophe41153-30-475 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-875 % similar (S)-N-Boc-4-bromophenylalanine62129-39-975 % similar Boc-L-4-chlorophe68090-88-075 % similar Boc-D-4,4'-biphenylalanine128779-47-573 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

ε-(Benzyloxycarbonyl)-L-lysine1155-64-2 Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-9 N-α-Benzyloxycarbonyl-L-lysine2212-75-1 Val-tyr3061-91-4 H-D-Lys(Z)-oh34404-32-5 Z-D-Lys-oh70671-54-4

Elsewhere

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