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58561-04-9 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
CAS No: 58561-04-9 Catalog No: AG003SFI MDL No:MFCD00672510
Product Description
Catalog Number:
AG003SFI
Chemical Name:
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
CAS Number:
58561-04-9
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD00672510
IUPAC Name:
methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1
InChI Key:
XCJLIYKAMLUDGN-QMMMGPOBSA-N
SMILES:
COC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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