Home Carboxys 2-Azabicyclo[3.3.0]octane-3-carboxylic acid

2-Azabicyclo[3.3.0]octane-3-carboxylic acid

CAS No.:
109428-53-7
Catalog Number:
AG008RDD
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
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Product Description
Catalog Number:
AG008RDD
Chemical Name:
2-Azabicyclo[3.3.0]octane-3-carboxylic acid
CAS Number:
109428-53-7
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD03265236
IUPAC Name:
(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1
InChI Key:
OQHKEWIEKYQINX-ACZMJKKPSA-N
SMILES:
OC(=O)[C@@H]1N[C@H]2[C@@H](C1)CCC2
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties