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209526-94-3 | 2-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methoxy- (9CI)
CAS No: 209526-94-3 Catalog No: AG002KA3 MDL No:
Product Description
Catalog Number:
AG002KA3
Chemical Name:
2-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methoxy- (9CI)
CAS Number:
209526-94-3
Molecular Formula:
C14H20N2O5
Molecular Weight:
296.3190
IUPAC Name:
3-(5-methoxypyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H20N2O5/c1-14(2,3)21-13(19)16-11(12(17)18)7-9-5-6-10(20-4)8-15-9/h5-6,8,11H,7H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
UAQXYMNJNCIQAN-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)CC(C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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