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77087-60-6 | (S)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)propanoate
CAS No: 77087-60-6 Catalog No: AG0033K8 MDL No:MFCD04039602
Product Description
Catalog Number:
AG0033K8
Chemical Name:
(S)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)propanoate
CAS Number:
77087-60-6
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
MDL Number:
MFCD04039602
IUPAC Name:
methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-/m0/s1
InChI Key:
AXLHVTKGDPVANO-LURJTMIESA-N
SMILES:
COC(=O)[C@H](CNC(=O)OC(C)(C)C)N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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