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146610-21-1 | 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)- (9CI)
CAS No: 146610-21-1 Catalog No: AG001E70 MDL No:
Product Description
Catalog Number:
AG001E70
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)- (9CI)
CAS Number:
146610-21-1
Molecular Formula:
C15H19N3O4
Molecular Weight:
305.3291
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
InChI:
InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-11(13(19)20)7-9-8-17-12-10(9)5-4-6-16-12/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)/t11-/m0/s1
InChI Key:
FDLAXTKUGQAPTA-NSHDSACASA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cccn2)NC(=O)OC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.334g/mol
Monoisotopic Mass:
305.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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