AB42806
112741-50-1 | tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB42806
ChemicalName
tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CasNumber
112741-50-1
MolecularFormula
C21H23NO4
MolecularWeight
353.4116
MdlNumber
MFCD00074953
Smiles
O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity
501
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.9
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CatalogNumber: AB42806
ChemicalName: tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CasNumber: 112741-50-1
MolecularFormula: C21H23NO4
MolecularWeight: 353.4116
MdlNumber: MFCD00074953
Smiles: O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity: 501
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AB42806
ChemicalName:
tert-Butyl (2s,3r)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CasNumber:
112741-50-1
MolecularFormula:
C21H23NO4
MolecularWeight:
353.4116
MdlNumber:
MFCD00074953
Smiles:
O=C1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O1)c1ccccc1)c1ccccc1
Complexity:
501
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@]1(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity: 957
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 6.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@]1(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity:
957
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
6.6
CatalogNumber: AB42808
ChemicalName: L-4-Hydroxy-proline benzyl ester, HCl
CasNumber: 62147-27-7
MolecularFormula: C12H16ClNO3
MolecularWeight: 257.7133
MdlNumber: MFCD00237998
Smiles: O[C@H]1CN[C@@H](C1)C(=O)OCc1ccccc1.Cl
Complexity: 238
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB42808
ChemicalName:
L-4-Hydroxy-proline benzyl ester, HCl
CasNumber:
62147-27-7
MolecularFormula:
C12H16ClNO3
MolecularWeight:
257.7133
MdlNumber:
MFCD00237998
Smiles:
O[C@H]1CN[C@@H](C1)C(=O)OCc1ccccc1.Cl
Complexity:
238
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB42809
ChemicalName: (2S,4S)-4-Fluoropyrrolidine-2-carboxylic acid
CasNumber: 2438-57-5
MolecularFormula: C5H8FNO2
MolecularWeight: 133.1209
MdlNumber: MFCD02683983
Smiles: OC(=O)[C@@H]1C[C@@H](CN1)F
Complexity: 128
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: -2.3
CatalogNumber:
AB42809
ChemicalName:
(2S,4S)-4-Fluoropyrrolidine-2-carboxylic acid
CasNumber:
2438-57-5
MolecularFormula:
C5H8FNO2
MolecularWeight:
133.1209
MdlNumber:
MFCD02683983
Smiles:
OC(=O)[C@@H]1C[C@@H](CN1)F
Complexity:
128
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
-2.3