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37535-58-3 | BOC-3-(4-pyridyl)-D-alanine
CAS No: 37535-58-3 Catalog No: AG0034JL MDL No:MFCD00672529
Product Description
Catalog Number:
AG0034JL
Chemical Name:
BOC-3-(4-pyridyl)-D-alanine
CAS Number:
37535-58-3
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD00672529
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoic acid
InChI:
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-4-6-14-7-5-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChI Key:
FNYWDMKESUACOU-SNVBAGLBSA-N
SMILES:
OC(=O)[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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