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1140972-31-1 | Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)-
CAS No: 1140972-31-1 Catalog No: AG000AJY MDL No:MFCD16883075
Product Description
Catalog Number:
AG000AJY
Chemical Name:
Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)-
CAS Number:
1140972-31-1
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD16883075
IUPAC Name:
ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-5-17-11(15)9-7-6-8-10(9)14-12(16)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m0/s1
InChI Key:
MHYUFBHMDDIXTD-VHSXEESVSA-N
SMILES:
CCOC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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