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87113-32-4 | 2-((tert-Butoxycarbonyl);amino);-2-propylpentanoic acid
CAS No: 87113-32-4 Catalog No: AG004LAT MDL No:MFCD06659125
Product Description
Catalog Number:
AG004LAT
Chemical Name:
2-((tert-Butoxycarbonyl);amino);-2-propylpentanoic acid
CAS Number:
87113-32-4
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
MDL Number:
MFCD06659125
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
InChI:
InChI=1S/C13H25NO4/c1-6-8-13(9-7-2,10(15)16)14-11(17)18-12(3,4)5/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChI Key:
GMRIQSNBJUTETD-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(NC(=O)OC(C)(C)C)CCC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2.9
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