AI32939
1373028-78-4 | tert-Butyl 2-(hydroxymethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI32939
ChemicalName
tert-Butyl 2-(hydroxymethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber
1373028-78-4
MolecularFormula
C14H25NO4
MolecularWeight
271.3526
MdlNumber
MFCD22209763
Smiles
OCC1CCC2(O1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AI32939
ChemicalName: tert-Butyl 2-(hydroxymethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber: 1373028-78-4
MolecularFormula: C14H25NO4
MolecularWeight: 271.3526
MdlNumber: MFCD22209763
Smiles: OCC1CCC2(O1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AI32939
ChemicalName:
tert-Butyl 2-(hydroxymethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CasNumber:
1373028-78-4
MolecularFormula:
C14H25NO4
MolecularWeight:
271.3526
MdlNumber:
MFCD22209763
Smiles:
OCC1CCC2(O1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: FCC1CNCC1C1CN(C1)C(=O)OC(C)(C)C
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Smiles:
FCC1CNCC1C1CN(C1)C(=O)OC(C)(C)C
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Smiles: OC[C@@]12CN(C[C@H]2C1)C(=O)OC(C)(C)C.OC[C@]12CN(C[C@@H]2C1)C(=O)OC(C)(C)C
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Smiles:
OC[C@@]12CN(C[C@H]2C1)C(=O)OC(C)(C)C.OC[C@]12CN(C[C@@H]2C1)C(=O)OC(C)(C)C
Complexity:
__
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__
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: O=C(Nc1cnn2c1CNCC2)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1cnn2c1CNCC2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__