AB54524
221142-28-5 | trans-1-[(tert-Butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54524
ChemicalName
trans-1-[(tert-Butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CasNumber
221142-28-5
MolecularFormula
C16H21NO4
MolecularWeight
291.3422
MdlNumber
MFCD02089475
Smiles
O=C(N1C[C@@H]([C@H](C1)C(=O)O)c1ccccc1)OC(C)(C)C
Complexity
396
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AB54524
ChemicalName: trans-1-[(tert-Butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CasNumber: 221142-28-5
MolecularFormula: C16H21NO4
MolecularWeight: 291.3422
MdlNumber: MFCD02089475
Smiles: O=C(N1C[C@@H]([C@H](C1)C(=O)O)c1ccccc1)OC(C)(C)C
Complexity: 396
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB54524
ChemicalName:
trans-1-[(tert-Butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CasNumber:
221142-28-5
MolecularFormula:
C16H21NO4
MolecularWeight:
291.3422
MdlNumber:
MFCD02089475
Smiles:
O=C(N1C[C@@H]([C@H](C1)C(=O)O)c1ccccc1)OC(C)(C)C
Complexity:
396
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C1c2ccccc2-c2c1cccc2)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(C1c2ccccc2-c2c1cccc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C1(N)CCCC1)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C1(N)CCCC1)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCC(O)C
Complexity: 28.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCC(O)C
Complexity:
28.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4