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101759-74-4 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (2S)-
CAS No: 101759-74-4 Catalog No: AG0005ED MDL No:MFCD17215563
Product Description
Catalog Number:
AG0005ED
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]methylamino]-, (2S)-
CAS Number:
101759-74-4
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD17215563
IUPAC Name:
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
InChI:
InChI=1S/C10H19NO4/c1-6-7(8(12)13)11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13)/t7-/m0/s1
InChI Key:
QIXDRLIEARGEQY-ZETCQYMHSA-N
SMILES:
CC[C@@H](C(=O)O)NCC(=O)OC(C)(C)C
Properties
Complexity:
244
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:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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