AI16357
1251015-11-8 | tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16357
ChemicalName
tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CasNumber
1251015-11-8
MolecularFormula
C12H22N2O3
MolecularWeight
242.3147
MdlNumber
MFCD17017198
Smiles
NC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity
313
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AI16357
ChemicalName: tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CasNumber: 1251015-11-8
MolecularFormula: C12H22N2O3
MolecularWeight: 242.3147
MdlNumber: MFCD17017198
Smiles: NC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AI16357
ChemicalName:
tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CasNumber:
1251015-11-8
MolecularFormula:
C12H22N2O3
MolecularWeight:
242.3147
MdlNumber:
MFCD17017198
Smiles:
NC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
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Smiles: NCc1cncc2c1CN(CC2)C(=O)OC(C)(C)C
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Smiles:
NCc1cncc2c1CN(CC2)C(=O)OC(C)(C)C
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Smiles: Clc1nccc(c1)C1NCCCc2c1cccc2
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Smiles:
Clc1nccc(c1)C1NCCCc2c1cccc2
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Smiles: O=C(N1CCC2(C(C1)NCC2)c1ccccc1)OC(C)(C)C
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Smiles:
O=C(N1CCC2(C(C1)NCC2)c1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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