AA29832
1251021-18-7 | tert-Butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA29832
ChemicalName
tert-Butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber
1251021-18-7
MolecularFormula
C14H24N2O3
MolecularWeight
268.352
MdlNumber
MFCD17017451
Smiles
O=C1CCC2(CN1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AA29832
ChemicalName: tert-Butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber: 1251021-18-7
MolecularFormula: C14H24N2O3
MolecularWeight: 268.352
MdlNumber: MFCD17017451
Smiles: O=C1CCC2(CN1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA29832
ChemicalName:
tert-Butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber:
1251021-18-7
MolecularFormula:
C14H24N2O3
MolecularWeight:
268.352
MdlNumber:
MFCD17017451
Smiles:
O=C1CCC2(CN1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: O=C(N1CC2(C1)CCC2=O)OC(C)(C)C
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Smiles:
O=C(N1CC2(C1)CCC2=O)OC(C)(C)C
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Smiles: O=C(N1C[C@@H]2[C@H]1CCNC2)OC(C)(C)C
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Smiles:
O=C(N1C[C@@H]2[C@H]1CCNC2)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(NC12CNCC2C1)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(NC12CNCC2C1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__