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1250884-66-2 | 3-Azabicyclo[3.2.0]heptane-3-carboxylic acid, 6-amino-, 1,1-dimethylethyl ester, (1R,5S)-rel-
CAS No: 1250884-66-2 Catalog No: AG000N4A MDL No:MFCD14581158
Product Description
Catalog Number:
AG000N4A
Chemical Name:
3-Azabicyclo[3.2.0]heptane-3-carboxylic acid, 6-amino-, 1,1-dimethylethyl ester, (1R,5S)-rel-
CAS Number:
1250884-66-2
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD14581158
IUPAC Name:
tert-butyl (1S,5R)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-7-4-9(12)8(7)6-13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9?/m1/s1
InChI Key:
IIZSRECJUBGQCE-WGTSGOJVSA-N
SMILES:
NC1C[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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