Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid

C₁₄H₂₀N₂O₄CAS 219297-13-9280.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₂₀N₂O₄
Molar mass: 280.32 g/mol
Exact mass: 280.1423 Da
logP: 1.99Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

219297-13-9

SMILES

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

InChIKey

BYTKQINZDKLYGV-NSHDSACASA-N

InChI

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

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

Work with Boc-(S)-3-amino-4-(4-pyridyl)-butyric 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

Similar compounds

Boc-(R)-3-amino-4-(4-methyl-phenyl)-butyric acid269398-85-876 % similar Boc-(S)-3-amino-4-(4-fluoro-phenyl)-butyric acid218608-97-074 % similar Boc-(R)-3-amino-4-(4-fluoro-phenyl)-butyric acid218609-00-874 % similar Boc-(R)-3-amino-4-(4-iodo-phenyl)-butyric acid269396-71-674 % similar Boc-(S)-3-amino-4-(4-bromo-phenyl)-butyric acid270062-85-674 % similar Boc-(R)-3-amino-4-(3-thienyl)-butyric acid269726-92-371 % similar Boc-(R)-3-amino-4-(3-methyl-phenyl)-butyric acid269398-83-668 % similar Boc-(S)-3-amino-4-(3-chloro-phenyl)-butyric acid270596-39-968 % similar

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

Same formula

ε-(Benzyloxycarbonyl)-L-lysine1155-64-2 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-2 N-α-Benzyloxycarbonyl-L-lysine2212-75-1 L-Valyl-L-tyrosine3061-91-4

Elsewhere

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