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1273562-74-5 | 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1273562-74-5 Catalog No: AG000WXI MDL No:MFCD18793394
Product Description
Catalog Number:
AG000WXI
Chemical Name:
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1273562-74-5
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD18793394
IUPAC Name:
tert-butyl 2-oxo-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-6-4-7(12)8(13)11-5-6/h6-7H,4-5H2,1-3H3,(H,11,13)
InChI Key:
FMTWZULNMBYWPQ-UHFFFAOYSA-N
SMILES:
O=C1NCC2CC1N2C(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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