Home Carboxys Cis-3-Aza-Bicyclo[4.1.0]Heptane-3,6-Dicarboxylic Acid 3-Tert-Butyl Ester

Cis-3-Aza-Bicyclo[4.1.0]Heptane-3,6-Dicarboxylic Acid 3-Tert-Butyl Ester

CAS No.:
1251012-36-8
Catalog Number:
AG00HI1F
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
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Product Description
Catalog Number:
AG00HI1F
Chemical Name:
Cis-3-Aza-Bicyclo[4.1.0]Heptane-3,6-Dicarboxylic Acid 3-Tert-Butyl Ester
CAS Number:
1251012-36-8
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD12198686
IUPAC Name:
(1S,6R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(9(14)15)6-8(12)7-13/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12+/m1/s1
InChI Key:
RMTDJEYZSNNPNM-PELKAZGASA-N
SMILES:
O=C(N1CC[C@]2([C@@H](C1)C2)C(=O)O)OC(C)(C)C
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties