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1214705-97-1

1214705-97-1 | 2-Amino-3-(1H-indol-3-yl)-N-isopropyl-propionamide

CAS No: 1214705-97-1 Catalog No: AG01F8YD MDL No:

Product Description

Catalog Number:
AG01F8YD
Chemical Name:
2-Amino-3-(1H-indol-3-yl)-N-isopropyl-propionamide
CAS Number:
1214705-97-1
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
IUPAC Name:
2-amino-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
InChI:
InChI=1S/C14H19N3O/c1-9(2)17-14(18)12(15)7-10-8-16-13-6-4-3-5-11(10)13/h3-6,8-9,12,16H,7,15H2,1-2H3,(H,17,18)
InChI Key:
FSURAZIHRDGGRQ-UHFFFAOYSA-N
SMILES:
CC(NC(=O)C(Cc1c[nH]c2c1cccc2)N)C

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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