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1180002-01-0 | Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, [2-(methylamino)-3-pyridinyl]methyl ester
CAS No: 1180002-01-0 Catalog No: AG000IBH MDL No:
Product Description
Catalog Number:
AG000IBH
Chemical Name:
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, [2-(methylamino)-3-pyridinyl]methyl ester
CAS Number:
1180002-01-0
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
IUPAC Name:
[2-(methylamino)pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
InChI:
InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18(5)9-12(19)21-10-11-7-6-8-17-13(11)16-4/h6-8H,9-10H2,1-5H3,(H,16,17)
InChI Key:
SREJHHORJXVQGX-UHFFFAOYSA-N
SMILES:
CNc1ncccc1COC(=O)CN(C(=O)OC(C)(C)C)C
EC Number:
928-404-0
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.366g/mol
Monoisotopic Mass:
309.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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