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159877-47-1 | Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (3R)-
CAS No: 159877-47-1 Catalog No: AG001RHO MDL No:MFCD03788463
Product Description
Catalog Number:
AG001RHO
Chemical Name:
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (3R)-
CAS Number:
159877-47-1
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD03788463
IUPAC Name:
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChI Key:
SUHJJLDEYCLBFT-SSDOTTSWSA-N
SMILES:
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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