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103365-47-5 | (S)-N-Boc-3-Amino-3-phenylpropanoic acid
CAS No: 103365-47-5 Catalog No: AG003903 MDL No:MFCD01860892
Product Description
Catalog Number:
AG003903
Chemical Name:
(S)-N-Boc-3-Amino-3-phenylpropanoic acid
CAS Number:
103365-47-5
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD01860892
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChI Key:
JTNQFJPZRTURSI-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](c1ccccc1)CC(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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