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132549-43-0 | Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-
CAS No: 132549-43-0 Catalog No: AG0010TA MDL No:MFCD02101665
Product Description
Catalog Number:
AG0010TA
Chemical Name:
Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-
CAS Number:
132549-43-0
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD02101665
IUPAC Name:
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI:
InChI=1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChI Key:
XRVAMBSTOWHUMM-VIFPVBQESA-N
SMILES:
CC(C[C@H](NC(=O)OC(C)(C)C)CC(=O)O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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