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1217755-81-1 | 3-Pyridinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methoxy-, (βS)-
CAS No: 1217755-81-1 Catalog No: AG0015YL MDL No:MFCD04118073
Product Description
Catalog Number:
AG0015YL
Chemical Name:
3-Pyridinepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methoxy-, (βS)-
CAS Number:
1217755-81-1
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
MDL Number:
MFCD04118073
IUPAC Name:
(3S)-3-(6-methoxypyridin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-10(7-12(17)18)9-5-6-11(20-4)15-8-9/h5-6,8,10H,7H2,1-4H3,(H,16,19)(H,17,18)/t10-/m0/s1
InChI Key:
WAZLXMQVYNXDQH-JTQLQIEISA-N
SMILES:
COc1ccc(cn1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.323g/mol
Monoisotopic Mass:
296.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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