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1824505-85-2 | 2,6-Diazabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1824505-85-2 Catalog No: AG0023W3 MDL No:
Product Description
Catalog Number:
AG0023W3
Chemical Name:
2,6-Diazabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1824505-85-2
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
IUPAC Name:
tert-butyl 6-benzyl-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
InChI:
InChI=1S/C17H24N2O2/c1-17(2,3)21-16(20)19-10-9-14-15(19)12-18(14)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChI Key:
QYAYEQNJXBSCAW-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C1CN2Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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