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146453-32-9 | Heptanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-, (4R)-
CAS No: 146453-32-9 Catalog No: AG001E1J MDL No:MFCD01074530
Product Description
Catalog Number:
AG001E1J
Chemical Name:
Heptanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-, (4R)-
CAS Number:
146453-32-9
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
MDL Number:
MFCD01074530
IUPAC Name:
(4R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
InChI:
InChI=1S/C13H25NO4/c1-9(2)8-10(6-7-11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChI Key:
ILHMTULQPDRVLS-SNVBAGLBSA-N
SMILES:
CC(C[C@H](NC(=O)OC(C)(C)C)CCC(=O)O)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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