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114524-80-0 | Tryptophan, α-methyl-, methyl ester
CAS No: 114524-80-0 Catalog No: AG000EMZ MDL No:MFCD00152138
Product Description
Catalog Number:
AG000EMZ
Chemical Name:
Tryptophan, α-methyl-, methyl ester
CAS Number:
114524-80-0
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD00152138
IUPAC Name:
methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate
InChI:
InChI=1S/C13H16N2O2/c1-13(14,12(16)17-2)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,8,15H,7,14H2,1-2H3
InChI Key:
RCUNGDZWHFRBBP-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1c[nH]c2c1cccc2)(N)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
68.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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