Home Carbonyls 3-Pyridinepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)

3-Pyridinepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)

CAS No.:
105454-25-9
Catalog Number:
AG0084SR
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
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Product Description
Catalog Number:
AG0084SR
Chemical Name:
3-Pyridinepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI)
CAS Number:
105454-25-9
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
InChI:
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
JLBCSWWZSSVXRQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)OC(C)(C)C)(Cc1cccnc1)N
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties