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1212819-92-5 | 3-(4-Aminonaphthalen-1-yl)-N-Boc-D-alanine
CAS No: 1212819-92-5 Catalog No: AG01FB6D MDL No:
Product Description
Catalog Number:
AG01FB6D
Chemical Name:
3-(4-Aminonaphthalen-1-yl)-N-Boc-D-alanine
CAS Number:
1212819-92-5
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
IUPAC Name:
3-(4-aminonaphthalen-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H22N2O4/c1-18(2,3)24-17(23)20-15(16(21)22)10-11-8-9-14(19)13-7-5-4-6-12(11)13/h4-9,15H,10,19H2,1-3H3,(H,20,23)(H,21,22)
InChI Key:
YQOJSWOOPHEDMD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc(c2c1cccc2)N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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