AB15679
188847-00-9 | 1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB15679
ChemicalName
1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber
188847-00-9
MolecularFormula
C14H17NO4
MolecularWeight
263.2891
MdlNumber
MFCD18432047
Smiles
COC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB15679
ChemicalName: 1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber: 188847-00-9
MolecularFormula: C14H17NO4
MolecularWeight: 263.2891
MdlNumber: MFCD18432047
Smiles: COC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB15679
ChemicalName:
1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate
CasNumber:
188847-00-9
MolecularFormula:
C14H17NO4
MolecularWeight:
263.2891
MdlNumber:
MFCD18432047
Smiles:
COC(=O)C1CCN(C1)C(=O)OCc1ccccc1
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: AB15680
ChemicalName: 1-N-Cbz-3-cyanopyrrolidine
CasNumber: 188846-99-3
MolecularFormula: C13H14N2O2
MolecularWeight: 230.2625
MdlNumber: MFCD06658395
Smiles: N#CC1CCN(C1)C(=O)OCc1ccccc1
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB15680
ChemicalName:
1-N-Cbz-3-cyanopyrrolidine
CasNumber:
188846-99-3
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.2625
MdlNumber:
MFCD06658395
Smiles:
N#CC1CCN(C1)C(=O)OCc1ccccc1
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: Cc1ccc(cc1)S(=O)(=O)OC1CCN(C1)C(=O)OCc1ccccc1
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Cc1ccc(cc1)S(=O)(=O)OC1CCN(C1)C(=O)OCc1ccccc1
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Smiles: OCC1=C2C=C[C@]2(COC1=O)[C@H]1CC(CC1=O)(C)C
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Smiles:
OCC1=C2C=C[C@]2(COC1=O)[C@H]1CC(CC1=O)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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