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Home > Pyridines > 1241681-87-7
1241681-87-7 | (S)?-?Boc-?2-?Hydroxy-?5-?pyridylalanine
CAS No: 1241681-87-7 Catalog No: AG01ER79 MDL No:
Product Description
Catalog Number:
AG01ER79
Chemical Name:
(S)?-?Boc-?2-?Hydroxy-?5-?pyridylalanine
CAS Number:
1241681-87-7
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-oxo-1H-pyridin-3-yl)propanoic acid
InChI:
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(19)15-9(11(17)18)6-8-4-5-10(16)14-7-8/h4-5,7,9H,6H2,1-3H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m0/s1
InChI Key:
OGAQTPLFVQFAJL-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(=O)[nH]c1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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