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149519-95-9 | 3-Pyridinepropanoic acid, β-amino-, ethyl ester, (βS)-
CAS No: 149519-95-9 Catalog No: AG001LS3 MDL No:
Product Description
Catalog Number:
AG001LS3
Chemical Name:
3-Pyridinepropanoic acid, β-amino-, ethyl ester, (βS)-
CAS Number:
149519-95-9
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate
InChI:
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8/h3-5,7,9H,2,6,11H2,1H3/t9-/m0/s1
InChI Key:
SUOOQSWLTJJSDK-VIFPVBQESA-N
SMILES:
CCOC(=O)C[C@@H](c1cccnc1)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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