AI32497
1363210-51-8 | 8-tert-Butyl 2-methyl 1-hydroxy-8-azaspiro[4.5]decane-2,8-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI32497
ChemicalName
8-tert-Butyl 2-methyl 1-hydroxy-8-azaspiro[4.5]decane-2,8-dicarboxylate
CasNumber
1363210-51-8
MolecularFormula
C16H27NO5
MolecularWeight
313.3893
MdlNumber
MFCD22209684
Smiles
COC(=O)C1CCC2(C1O)CCN(CC2)C(=O)OC(C)(C)C
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2
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CatalogNumber: AI32497
ChemicalName: 8-tert-Butyl 2-methyl 1-hydroxy-8-azaspiro[4.5]decane-2,8-dicarboxylate
CasNumber: 1363210-51-8
MolecularFormula: C16H27NO5
MolecularWeight: 313.3893
MdlNumber: MFCD22209684
Smiles: COC(=O)C1CCC2(C1O)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2
CatalogNumber:
AI32497
ChemicalName:
8-tert-Butyl 2-methyl 1-hydroxy-8-azaspiro[4.5]decane-2,8-dicarboxylate
CasNumber:
1363210-51-8
MolecularFormula:
C16H27NO5
MolecularWeight:
313.3893
MdlNumber:
MFCD22209684
Smiles:
COC(=O)C1CCC2(C1O)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2
CatalogNumber: AI32498
ChemicalName: tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
CasNumber: 136329-30-1
MolecularFormula: C17H24N2O3
MolecularWeight: 304.3841
MdlNumber: MFCD24393226
Smiles: O=C(OC(C)(C)C)NC(C(=O)N1CCCC1)c1ccccc1
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AI32498
ChemicalName:
tert-Butyl n-[2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]carbamate
CasNumber:
136329-30-1
MolecularFormula:
C17H24N2O3
MolecularWeight:
304.3841
MdlNumber:
MFCD24393226
Smiles:
O=C(OC(C)(C)C)NC(C(=O)N1CCCC1)c1ccccc1
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: O=C1N(C)C[C@@H]2[C@H]1CNCC2
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O=C1N(C)C[C@@H]2[C@H]1CNCC2
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Smiles: CN1CC[C@@H]1CN
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Smiles:
CN1CC[C@@H]1CN
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RotatableBondCount:
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