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1015070-59-3 | Benzenepropanoic acid, α-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS No: 1015070-59-3 Catalog No: AG0004NA MDL No:
Product Description
Catalog Number:
AG0004NA
Chemical Name:
Benzenepropanoic acid, α-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-
CAS Number:
1015070-59-3
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-10-9-13(14(18)19)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
IMDXFJMGLVQGJL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccc1)CCNC(=O)OC(C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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