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1083402-31-6 | 3-Oxo-3-(5-oxo-1-pyridin-2-ylmethyl-pyrrolidin-3-yl)-propionic acid methyl ester
CAS No: 1083402-31-6 Catalog No: AG01F3SQ MDL No:
Product Description
Catalog Number:
AG01F3SQ
Chemical Name:
3-Oxo-3-(5-oxo-1-pyridin-2-ylmethyl-pyrrolidin-3-yl)-propionic acid methyl ester
CAS Number:
1083402-31-6
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
IUPAC Name:
methyl 3-oxo-3-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]propanoate
InChI:
InChI=1S/C14H16N2O4/c1-20-14(19)7-12(17)10-6-13(18)16(8-10)9-11-4-2-3-5-15-11/h2-5,10H,6-9H2,1H3
InChI Key:
GQAZDFWLXJDAIJ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C1CC(=O)N(C1)Cc1ccccn1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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