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705949-10-6 | Bicyclo[3.1.1]heptane-3-carboxylicacid, 2-amino-2,6,6-trimethyl-, (1S,2S,3R,5S)-
CAS No: 705949-10-6 Catalog No: AG005HQV MDL No:
Product Description
Catalog Number:
AG005HQV
Chemical Name:
Bicyclo[3.1.1]heptane-3-carboxylicacid, 2-amino-2,6,6-trimethyl-, (1S,2S,3R,5S)-
CAS Number:
705949-10-6
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
(1S,2S,3R,5S)-2-amino-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
InChI:
InChI=1S/C11H19NO2/c1-10(2)6-4-7(9(13)14)11(3,12)8(10)5-6/h6-8H,4-5,12H2,1-3H3,(H,13,14)/t6-,7+,8+,11-/m1/s1
InChI Key:
RVNVDAUGIAPWLP-OFHVYEONSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2C[C@H]([C@]1(C)N)C2(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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