AI09848
115655-43-1 | 1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-methyl 1-(phenylmethyl) ester
Manufacturer: A2B Chem
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CatalogNumber
AI09848
ChemicalName
1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-methyl 1-(phenylmethyl) ester
CasNumber
115655-43-1
MolecularFormula
C20H28N2O6
MolecularWeight
392.4461
MdlNumber
MFCD17170962
Smiles
COC(=O)C1(CCN(CC1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity
558
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
2.6
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CatalogNumber: AI09848
ChemicalName: 1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-methyl 1-(phenylmethyl) ester
CasNumber: 115655-43-1
MolecularFormula: C20H28N2O6
MolecularWeight: 392.4461
MdlNumber: MFCD17170962
Smiles: COC(=O)C1(CCN(CC1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity: 558
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 2.6
CatalogNumber:
AI09848
ChemicalName:
1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 4-methyl 1-(phenylmethyl) ester
CasNumber:
115655-43-1
MolecularFormula:
C20H28N2O6
MolecularWeight:
392.4461
MdlNumber:
MFCD17170962
Smiles:
COC(=O)C1(CCN(CC1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
558
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
2.6
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Smiles: OCCNCC(=O)Nc1ccc(cc1)Br
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OCCNCC(=O)Nc1ccc(cc1)Br
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Smiles: CCOc1ccc2c(c1)C(=O)CO2
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CCOc1ccc2c(c1)C(=O)CO2
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Smiles: CC(n1ncc(c1)S(=O)(=O)Cl)(C)C
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Smiles:
CC(n1ncc(c1)S(=O)(=O)Cl)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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