AA58252
138423-86-6 | (S)-1-tert-Butyl 2-methyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA58252
ChemicalName
(S)-1-tert-Butyl 2-methyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate
CasNumber
138423-86-6
MolecularFormula
C13H23NO4
MolecularWeight
257.326
MdlNumber
MFCD11040193
Smiles
COC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity
343
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AA58252
ChemicalName: (S)-1-tert-Butyl 2-methyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate
CasNumber: 138423-86-6
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD11040193
Smiles: COC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity: 343
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA58252
ChemicalName:
(S)-1-tert-Butyl 2-methyl 4,4-dimethylpyrrolidine-1,2-dicarboxylate
CasNumber:
138423-86-6
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD11040193
Smiles:
COC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity:
343
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CCOC(=O)Cc1nc2c(o1)ccc(c2)Cl
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Smiles:
CCOC(=O)Cc1nc2c(o1)ccc(c2)Cl
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Smiles: CC1=CC=C(C=C1)SC2C(C(C(C(O2)C(=O)OC)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
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Smiles:
CC1=CC=C(C=C1)SC2C(C(C(C(O2)C(=O)OC)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1Cl)[C@@H]1CNCC1.Cl
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Smiles:
Clc1ccc(cc1Cl)[C@@H]1CNCC1.Cl
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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