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1075257-98-5 | 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CAS No: 1075257-98-5 Catalog No: AG003AEO MDL No:
Product Description
Catalog Number:
AG003AEO
Chemical Name:
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-2-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CAS Number:
1075257-98-5
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
IUPAC Name:
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H20N2O4/c1-8-11(12(17)18)9-7-16(6-5-10(9)15-8)13(19)20-14(2,3)4/h15H,5-7H2,1-4H3,(H,17,18)
InChI Key:
QHSSLYHZUHGHIG-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(C(=O)O)c([nH]2)C)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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