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101669-78-7 | Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, methyl ester, (4S)-
CAS No: 101669-78-7 Catalog No: AG00054Y MDL No:
Product Description
Catalog Number:
AG00054Y
Chemical Name:
Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, methyl ester, (4S)-
CAS Number:
101669-78-7
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
InChI:
InChI=1S/C11H19NO5/c1-7(8(13)6-9(14)16-5)12-10(15)17-11(2,3)4/h7H,6H2,1-5H3,(H,12,15)
InChI Key:
HMITWDFQTIEUAV-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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