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2227206-39-3 | 2-{4-[(tert-butoxy)carbonyl]-4-azaspiro[2.5]octan-7-yl}acetic acid
CAS No: 2227206-39-3 Catalog No: AG01FIUY MDL No:
Product Description
Catalog Number:
AG01FIUY
Chemical Name:
2-{4-[(tert-butoxy)carbonyl]-4-azaspiro[2.5]octan-7-yl}acetic acid
CAS Number:
2227206-39-3
Molecular Formula:
C14H23NO4
Molecular Weight:
269.3367
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]acetic acid
InChI:
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-7-4-10(8-11(16)17)9-14(15)5-6-14/h10H,4-9H2,1-3H3,(H,16,17)
InChI Key:
WKXDXUNHYYMETQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCN(C2(C1)CC2)C(=O)OC(C)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.341g/mol
Monoisotopic Mass:
269.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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