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87764-51-0 | (2S)-2-[[(E)-1-ethoxycarbonylprop-1-en-2-yl]amino]-3-phenyl-propanoic acid
CAS No: 87764-51-0 Catalog No: AG004LG4 MDL No:
Product Description
Catalog Number:
AG004LG4
Chemical Name:
(2S)-2-[[(E)-1-ethoxycarbonylprop-1-en-2-yl]amino]-3-phenyl-propanoic acid
CAS Number:
87764-51-0
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
(2S)-2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H19NO4/c1-3-20-14(17)9-11(2)16-13(15(18)19)10-12-7-5-4-6-8-12/h4-9,13,16H,3,10H2,1-2H3,(H,18,19)/t13-/m0/s1
InChI Key:
MTBBUMSUVISXGJ-ZDUSSCGKSA-N
SMILES:
CCOC(=O)/C=C(/N[C@H](C(=O)O)Cc1ccccc1)\C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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