AI14518
1221439-83-3 | rel-(3a-alfa,5alfa,6a-alfa)-t-butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI14518
ChemicalName
rel-(3a-alfa,5alfa,6a-alfa)-t-butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
CasNumber
1221439-83-3
MolecularFormula
C12H22N2O2
MolecularWeight
226.31527999999997
MdlNumber
MFCD23726570
Smiles
N[C@@H]1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity
271
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AI14518
ChemicalName: rel-(3a-alfa,5alfa,6a-alfa)-t-butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
CasNumber: 1221439-83-3
MolecularFormula: C12H22N2O2
MolecularWeight: 226.31527999999997
MdlNumber: MFCD23726570
Smiles: N[C@@H]1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AI14518
ChemicalName:
rel-(3a-alfa,5alfa,6a-alfa)-t-butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate
CasNumber:
1221439-83-3
MolecularFormula:
C12H22N2O2
MolecularWeight:
226.31527999999997
MdlNumber:
MFCD23726570
Smiles:
N[C@@H]1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
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Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3C(=C2)C(=CN3C)C)C#N
Complexity: __
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Smiles:
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3C(=C2)C(=CN3C)C)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(cc2c1occ2)B1OC(C(O1)(C)C)(C)C
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Smiles:
[O-][N+](=O)c1cc(cc2c1occ2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1COc2c(N1)c(F)c(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1COc2c(N1)c(F)c(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__