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114624-72-5 | Tyrosine, N-(aminocarbonyl)-3-methoxy-O-methyl-
CAS No: 114624-72-5 Catalog No: AG000EVI MDL No:
Product Description
Catalog Number:
AG000EVI
Chemical Name:
Tyrosine, N-(aminocarbonyl)-3-methoxy-O-methyl-
CAS Number:
114624-72-5
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
IUPAC Name:
2-(carbamoylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
InChI:
InChI=1S/C12H16N2O5/c1-18-9-4-3-7(6-10(9)19-2)5-8(11(15)16)14-12(13)17/h3-4,6,8H,5H2,1-2H3,(H,15,16)(H3,13,14,17)
InChI Key:
JTELTMYDFKDHNK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C[C@@H](C(=O)O)NC(=O)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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