Boc-3-(2-pyridyl)-Ala-OH

C13H18N2O4CAS 71239-85-5266.30 g/mol

OONHNOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C13H18N2O4
Molar mass
266.30 g/mol
Exact mass
266.1267 Da
logP
1.60Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
71239-85-5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=N1)C(=O)O
InChIKey
KMODKKCXWFNEIK-JTQLQIEISA-N
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

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Names and synonyms

1 names
  • Boc-3-(2-pyridyl)-L-alanine

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Similar compounds

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

Same formula

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