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76980-28-4 | N-(2-METHOXYNICOTINOYL)GLUTAMIC ACID
CAS No: 76980-28-4 Catalog No: AG0057A2 MDL No:
Product Description
Catalog Number:
AG0057A2
Chemical Name:
N-(2-METHOXYNICOTINOYL)GLUTAMIC ACID
CAS Number:
76980-28-4
Molecular Formula:
C12H14N2O6
Molecular Weight:
282.2494
IUPAC Name:
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]pentanedioic acid
InChI:
InChI=1S/C12H14N2O6/c1-20-11-7(3-2-6-13-11)10(17)14-8(12(18)19)4-5-9(15)16/h2-3,6,8H,4-5H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t8-/m0/s1
InChI Key:
QDZPKXXNXLAZMU-QMMMGPOBSA-N
SMILES:
COc1ncccc1C(=O)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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