AI49108
370882-66-9 | tert-Butyl (1s,5r)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI49108
ChemicalName
tert-Butyl (1s,5r)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CasNumber
370882-66-9
MolecularFormula
C10H18N2O2
MolecularWeight
198.2621
MdlNumber
MFCD19237808
Smiles
O=C(N1C[C@H]2[C@@H]1CNC2)OC(C)(C)C
Complexity
247
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AI49108
ChemicalName: tert-Butyl (1s,5r)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CasNumber: 370882-66-9
MolecularFormula: C10H18N2O2
MolecularWeight: 198.2621
MdlNumber: MFCD19237808
Smiles: O=C(N1C[C@H]2[C@@H]1CNC2)OC(C)(C)C
Complexity: 247
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AI49108
ChemicalName:
tert-Butyl (1s,5r)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CasNumber:
370882-66-9
MolecularFormula:
C10H18N2O2
MolecularWeight:
198.2621
MdlNumber:
MFCD19237808
Smiles:
O=C(N1C[C@H]2[C@@H]1CNC2)OC(C)(C)C
Complexity:
247
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
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Smiles: OC(=O)C1NCCN(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
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OC(=O)C1NCCN(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
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Smiles: NNc1ccc(cc1)F
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NNc1ccc(cc1)F
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Smiles: Cc1c(C)sc2c1c(=O)n(CC(=O)O)cn2
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Smiles:
Cc1c(C)sc2c1c(=O)n(CC(=O)O)cn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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