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886364-83-6 | 2-N-Boc-3-(3-Methoxy-phenyl)-2-methylaminomethyl-propionic acid
CAS No: 886364-83-6 Catalog No: AG004AEY MDL No:
Product Description
Catalog Number:
AG004AEY
Chemical Name:
2-N-Boc-3-(3-Methoxy-phenyl)-2-methylaminomethyl-propionic acid
CAS Number:
886364-83-6
Molecular Formula:
C17H25NO5
Molecular Weight:
323.3841
IUPAC Name:
2-[(3-methoxyphenyl)methyl]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18(4)11-13(15(19)20)9-12-7-6-8-14(10-12)22-5/h6-8,10,13H,9,11H2,1-5H3,(H,19,20)
InChI Key:
XFNSPQTTYJTYEQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(C(=O)O)CN(C(=O)OC(C)(C)C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.389g/mol
Monoisotopic Mass:
323.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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