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77215-55-5 | (S)-tert-Butyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate
CAS No: 77215-55-5 Catalog No: AG0036HF MDL No:MFCD09991588
Product Description
Catalog Number:
AG0036HF
Chemical Name:
(S)-tert-Butyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate
CAS Number:
77215-55-5
Molecular Formula:
C15H22N2O4
Molecular Weight:
294.3462
MDL Number:
MFCD09991588
IUPAC Name:
tert-butyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C15H22N2O4/c1-15(2,3)21-13(18)12(9-16)17-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3,(H,17,19)/t12-/m0/s1
InChI Key:
GUTOOFAUODQZRP-LBPRGKRZSA-N
SMILES:
NC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.351g/mol
Monoisotopic Mass:
294.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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