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1392803-91-6 | 3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(aminocarbonyl)-, 1,1-dimethylethyl ester
CAS No: 1392803-91-6 Catalog No: AG001ANA MDL No:MFCD23106187
Product Description
Catalog Number:
AG001ANA
Chemical Name:
3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(aminocarbonyl)-, 1,1-dimethylethyl ester
CAS Number:
1392803-91-6
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD23106187
IUPAC Name:
tert-butyl 6-carbamoyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-5-7-4-8(6-14)9(7)10(13)15/h7-9H,4-6H2,1-3H3,(H2,13,15)
InChI Key:
LIOMULREOSJHPD-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC(C1)C2C(=O)N)OC(C)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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