AI16146
1250884-35-5 | Rel-(1r,4r,5r)-tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16146
ChemicalName
Rel-(1r,4r,5r)-tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber
1250884-35-5
MolecularFormula
C11H19NO3
MolecularWeight
213.2735
MdlNumber
MFCD17016679
Smiles
O[C@@H]1CC2CC1CN2C(=O)OC(C)(C)C
Complexity
272
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI16146
ChemicalName: Rel-(1r,4r,5r)-tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber: 1250884-35-5
MolecularFormula: C11H19NO3
MolecularWeight: 213.2735
MdlNumber: MFCD17016679
Smiles: O[C@@H]1CC2CC1CN2C(=O)OC(C)(C)C
Complexity: 272
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI16146
ChemicalName:
Rel-(1r,4r,5r)-tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber:
1250884-35-5
MolecularFormula:
C11H19NO3
MolecularWeight:
213.2735
MdlNumber:
MFCD17016679
Smiles:
O[C@@H]1CC2CC1CN2C(=O)OC(C)(C)C
Complexity:
272
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: OC(=O)C1[C@@H]2CCC[C@H]1c1c(N2)cccc1
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Smiles:
OC(=O)C1[C@@H]2CCC[C@H]1c1c(N2)cccc1
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DefinedAtomStereocenterCount:
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Smiles: OC(=O)[C@@H]1[C@@H]2C[C@H](N1C(=O)OC(C)(C)C)C[C@@H]2O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1[C@@H]2C[C@H](N1C(=O)OC(C)(C)C)C[C@@H]2O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__