AE28676
1009335-39-0 | (2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE28676
ChemicalName
(2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber
1009335-39-0
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD18837818
Smiles
OC[C@H]1C[C@H](CN1C(=O)OCc1ccccc1)O
Complexity
278
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.5
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CatalogNumber: AE28676
ChemicalName: (2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber: 1009335-39-0
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD18837818
Smiles: OC[C@H]1C[C@H](CN1C(=O)OCc1ccccc1)O
Complexity: 278
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AE28676
ChemicalName:
(2R,4R)-Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CasNumber:
1009335-39-0
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD18837818
Smiles:
OC[C@H]1C[C@H](CN1C(=O)OCc1ccccc1)O
Complexity:
278
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.5
CatalogNumber: __
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Smiles: C1C[NH+]2CCN1CC2.OC[C@H](Oc1cc(Oc2ccc(nc2)S(=O)(=O)CC)cc(c1)C(=O)[O-])C
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Smiles:
C1C[NH+]2CCN1CC2.OC[C@H](Oc1cc(Oc2ccc(nc2)S(=O)(=O)CC)cc(c1)C(=O)[O-])C
Complexity:
__
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Smiles: Clc1nc(nc2c1cccc2)C12CC3CC(C2)CC(C1)C3
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Smiles:
Clc1nc(nc2c1cccc2)C12CC3CC(C2)CC(C1)C3
Complexity:
__
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__
DefinedAtomStereocenterCount:
__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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__
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Smiles: CCC1=C(C(=NC=C1C)CCl)C.Cl
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCC1=C(C(=NC=C1C)CCl)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__