AE40709
1217689-78-5 | Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE40709
ChemicalName
Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber
1217689-78-5
MolecularFormula
C17H23NO5
MolecularWeight
321.3682
MdlNumber
MFCD23701638
Smiles
COc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity
445
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.1
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CatalogNumber: AE40709
ChemicalName: Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber: 1217689-78-5
MolecularFormula: C17H23NO5
MolecularWeight: 321.3682
MdlNumber: MFCD23701638
Smiles: COc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity: 445
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AE40709
ChemicalName:
Boc-(+/-)-trans-4-(2-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CasNumber:
1217689-78-5
MolecularFormula:
C17H23NO5
MolecularWeight:
321.3682
MdlNumber:
MFCD23701638
Smiles:
COc1ccccc1[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Complexity:
445
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1
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Smiles: O=C(N1CCC[C@]1(Cc1ccccc1C(F)(F)F)C(=O)O)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CCC[C@]1(Cc1ccccc1C(F)(F)F)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(N[C@H](c1ccccc1C(F)(F)F)[C@H](C(=O)O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N[C@H](c1ccccc1C(F)(F)F)[C@H](C(=O)O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: COc1cc(ccc1OC)[C@H]1CNC[C@@H]1C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1OC)[C@H]1CNC[C@@H]1C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__