AB08345
198835-04-0 | tert-Butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB08345
ChemicalName
tert-Butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber
198835-04-0
MolecularFormula
C11H17NO3
MolecularWeight
211.2575800000001
MdlNumber
MFCD09040748
Smiles
O=C(N1CC2CC1C(=O)C2)OC(C)(C)C
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AB08345
ChemicalName: tert-Butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber: 198835-04-0
MolecularFormula: C11H17NO3
MolecularWeight: 211.2575800000001
MdlNumber: MFCD09040748
Smiles: O=C(N1CC2CC1C(=O)C2)OC(C)(C)C
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AB08345
ChemicalName:
tert-Butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber:
198835-04-0
MolecularFormula:
C11H17NO3
MolecularWeight:
211.2575800000001
MdlNumber:
MFCD09040748
Smiles:
O=C(N1CC2CC1C(=O)C2)OC(C)(C)C
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB08347
ChemicalName: Rel-(1r,4s,6r)-tert-butyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber: 198835-02-8
MolecularFormula: C22H38N2O6
MolecularWeight: 426.5469
MdlNumber: MFCD17016676
Smiles: OC1CC2CC1N(C2)C(=O)OC(C)(C)C.OC1CC2CC1N(C2)C(=O)OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB08347
ChemicalName:
Rel-(1r,4s,6r)-tert-butyl 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber:
198835-02-8
MolecularFormula:
C22H38N2O6
MolecularWeight:
426.5469
MdlNumber:
MFCD17016676
Smiles:
OC1CC2CC1N(C2)C(=O)OC(C)(C)C.OC1CC2CC1N(C2)C(=O)OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2ccccc2c(c1F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2ccccc2c(c1F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__