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1313277-94-9 | 1H-Indole-3-butanoic acid, β-amino-1-methyl-, (βS)-
CAS No: 1313277-94-9 Catalog No: AG000VXJ MDL No:
Product Description
Catalog Number:
AG000VXJ
Chemical Name:
1H-Indole-3-butanoic acid, β-amino-1-methyl-, (βS)-
CAS Number:
1313277-94-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
(3S)-3-amino-4-(1-methylindol-3-yl)butanoic acid
InChI:
InChI=1S/C13H16N2O2/c1-15-8-9(6-10(14)7-13(16)17)11-4-2-3-5-12(11)15/h2-5,8,10H,6-7,14H2,1H3,(H,16,17)/t10-/m0/s1
InChI Key:
KVNQDSZTNZOZAA-JTQLQIEISA-N
SMILES:
N[C@@H](Cc1cn(c2c1cccc2)C)CC(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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