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126331-57-5 | Butanoic acid, 2-[[2-(1H-indol-3-yl)acetyl]amino]-, (2S)-
CAS No: 126331-57-5 Catalog No: AG000SNE MDL No:
Product Description
Catalog Number:
AG000SNE
Chemical Name:
Butanoic acid, 2-[[2-(1H-indol-3-yl)acetyl]amino]-, (2S)-
CAS Number:
126331-57-5
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
2-[[2-(1H-indol-3-yl)acetyl]amino]butanoic acid
InChI:
InChI=1S/C14H16N2O3/c1-2-11(14(18)19)16-13(17)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7H2,1H3,(H,16,17)(H,18,19)
InChI Key:
AIFQUSUUOCUHHS-UHFFFAOYSA-N
SMILES:
CC[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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