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101650-14-0 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, methyl ester, (2S)-
CAS No: 101650-14-0 Catalog No: AG00051F MDL No:MFCD16294352
Product Description
Catalog Number:
AG00051F
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, methyl ester, (2S)-
CAS Number:
101650-14-0
Molecular Formula:
C10H18INO4
Molecular Weight:
343.1587
MDL Number:
MFCD16294352
IUPAC Name:
methyl (2S)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C10H18INO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChI Key:
VYAWQKJZQJHWPR-ZETCQYMHSA-N
SMILES:
ICC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.161g/mol
Monoisotopic Mass:
343.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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