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1419101-43-1 | 3-Pyridineacetic acid, 2-[[1-(methoxycarbonyl)cyclopentyl]amino]-, methyl ester
CAS No: 1419101-43-1 Catalog No: AG001HDL MDL No:
Product Description
Catalog Number:
AG001HDL
Chemical Name:
3-Pyridineacetic acid, 2-[[1-(methoxycarbonyl)cyclopentyl]amino]-, methyl ester
CAS Number:
1419101-43-1
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
IUPAC Name:
methyl 1-[[3-(2-methoxy-2-oxoethyl)pyridin-2-yl]amino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C15H20N2O4/c1-20-12(18)10-11-6-5-9-16-13(11)17-15(14(19)21-2)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChI Key:
FPPGVZGKFXHQOT-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccnc1NC1(CCCC1)C(=O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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