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Home > Pyridines > 1212195-99-7
1212195-99-7 | (2S)-2-(1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]-pyridin-2-yl)-4-methylpentanoic acid
CAS No: 1212195-99-7 Catalog No: AG00HG1C MDL No:MFCD11108891
Product Description
Catalog Number:
AG00HG1C
Chemical Name:
(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]-pyridin-2-yl)-4-methylpentanoic acid
CAS Number:
1212195-99-7
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD11108891
IUPAC Name:
(2S)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-4-methylpentanoic acid
InChI:
InChI=1S/C13H14N2O4/c1-7(2)5-10(13(18)19)15-11(16)8-3-4-14-6-9(8)12(15)17/h3-4,6-7,10H,5H2,1-2H3,(H,18,19)/t10-/m0/s1
InChI Key:
ILFJDGIIVXIPLQ-JTQLQIEISA-N
SMILES:
CC(C[C@H](N1C(=O)c2c(C1=O)cncc2)C(=O)O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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