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1313358-57-4 | Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-, methyl ester, (1R,3S)-
CAS No: 1313358-57-4 Catalog No: AG000VYB MDL No:MFCD26959118
Product Description
Catalog Number:
AG000VYB
Chemical Name:
Cyclobutanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-, methyl ester, (1R,3S)-
CAS Number:
1313358-57-4
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD26959118
IUPAC Name:
methyl (1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-9-7-8(10(15)17-6)13(9,4)5/h8-9H,7H2,1-6H3,(H,14,16)/t8-,9-/m0/s1
InChI Key:
BDQWLUCKINFTPX-IUCAKERBSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](C1(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
343
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:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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