AH94499
923009-49-8 | 1-tert-Butyl 3-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH94499
ChemicalName
1-tert-Butyl 3-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
CasNumber
923009-49-8
MolecularFormula
C15H24N2O4
MolecularWeight
296.3621
MdlNumber
MFCD11977501
Smiles
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC#N
Complexity
446
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AH94499
ChemicalName: 1-tert-Butyl 3-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
CasNumber: 923009-49-8
MolecularFormula: C15H24N2O4
MolecularWeight: 296.3621
MdlNumber: MFCD11977501
Smiles: CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC#N
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AH94499
ChemicalName:
1-tert-Butyl 3-ethyl 3-(cyanomethyl)piperidine-1,3-dicarboxylate
CasNumber:
923009-49-8
MolecularFormula:
C15H24N2O4
MolecularWeight:
296.3621
MdlNumber:
MFCD11977501
Smiles:
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)CC#N
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: AH94500
ChemicalName: 3-Bromo-1-azetidinecarboxylic acid benzyl ester
CasNumber: 939759-25-8
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.12248000000005
MdlNumber: MFCD09026509
Smiles: BrC1CN(C1)C(=O)OCc1ccccc1
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AH94500
ChemicalName:
3-Bromo-1-azetidinecarboxylic acid benzyl ester
CasNumber:
939759-25-8
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.12248000000005
MdlNumber:
MFCD09026509
Smiles:
BrC1CN(C1)C(=O)OCc1ccccc1
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: O[C@@H]1C[C@@H]2[C@@]3([C@H]([C@@]1(O)OC3)C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2C[C@@](C)(CC1)C(=O)O)C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@@H]2[C@@]3([C@H]([C@@]1(O)OC3)C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2C[C@@](C)(CC1)C(=O)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__