AA81161
158706-46-8 | Boc-(2R,5S)-5-phenyl-pyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA81161
ChemicalName
Boc-(2R,5S)-5-phenyl-pyrrolidine-2-carboxylic acid
CasNumber
158706-46-8
MolecularFormula
C16H21NO4
MolecularWeight
291.3422
MdlNumber
MFCD01321009
Smiles
OC(=O)[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)c1ccccc1
Complexity
396
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AA81161
ChemicalName: Boc-(2R,5S)-5-phenyl-pyrrolidine-2-carboxylic acid
CasNumber: 158706-46-8
MolecularFormula: C16H21NO4
MolecularWeight: 291.3422
MdlNumber: MFCD01321009
Smiles: OC(=O)[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)c1ccccc1
Complexity: 396
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AA81161
ChemicalName:
Boc-(2R,5S)-5-phenyl-pyrrolidine-2-carboxylic acid
CasNumber:
158706-46-8
MolecularFormula:
C16H21NO4
MolecularWeight:
291.3422
MdlNumber:
MFCD01321009
Smiles:
OC(=O)[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)c1ccccc1
Complexity:
396
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCOc1ccc(cc1)C(=O)O
Complexity: 208
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCOc1ccc(cc1)C(=O)O
Complexity:
208
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCOc1ccc(cc1)C(=O)O
Complexity: 183
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCOc1ccc(cc1)C(=O)O
Complexity:
183
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1=C(C(=O)O)C2CC1C=C2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1=C(C(=O)O)C2CC1C=C2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__