AE96807
194222-05-4 | tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE96807
ChemicalName
tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CasNumber
194222-05-4
MolecularFormula
C12H21NO3
MolecularWeight
227.3
MdlNumber
MFCD16294321
Smiles
O[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Complexity
271
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AE96807
ChemicalName: tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CasNumber: 194222-05-4
MolecularFormula: C12H21NO3
MolecularWeight: 227.3
MdlNumber: MFCD16294321
Smiles: O[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AE96807
ChemicalName:
tert-Butyl 3-exo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CasNumber:
194222-05-4
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3
MdlNumber:
MFCD16294321
Smiles:
O[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: CCOC(=O)C(=C1CCN(CC1)C(=O)OC(C)(C)C)C#N
Complexity: __
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Smiles:
CCOC(=O)C(=C1CCN(CC1)C(=O)OC(C)(C)C)C#N
Complexity:
__
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Smiles: Nc1ncc(c(n1)Cl)N
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Smiles:
Nc1ncc(c(n1)Cl)N
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(=N)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__