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188576-13-8 | Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 188576-13-8 Catalog No: AG002GZF MDL No:MFCD13195907
Product Description
Catalog Number:
AG002GZF
Chemical Name:
Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
188576-13-8
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD13195907
IUPAC Name:
methyl 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)
InChI Key:
NQIFXJSLCUJHBB-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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