AI16288
1251006-00-4 | 5-Oxa-2-aza-spiro[3.4]octane-2,6-dicarboxylic acid 2-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16288
ChemicalName
5-Oxa-2-aza-spiro[3.4]octane-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber
1251006-00-4
MolecularFormula
C12H19NO5
MolecularWeight
257.28295999999995
MdlNumber
MFCD14581233
Smiles
O=C(N1CC2(C1)CCC(O2)C(=O)O)OC(C)(C)C
Complexity
367
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AI16288
ChemicalName: 5-Oxa-2-aza-spiro[3.4]octane-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber: 1251006-00-4
MolecularFormula: C12H19NO5
MolecularWeight: 257.28295999999995
MdlNumber: MFCD14581233
Smiles: O=C(N1CC2(C1)CCC(O2)C(=O)O)OC(C)(C)C
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AI16288
ChemicalName:
5-Oxa-2-aza-spiro[3.4]octane-2,6-dicarboxylic acid 2-tert-butyl ester
CasNumber:
1251006-00-4
MolecularFormula:
C12H19NO5
MolecularWeight:
257.28295999999995
MdlNumber:
MFCD14581233
Smiles:
O=C(N1CC2(C1)CCC(O2)C(=O)O)OC(C)(C)C
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
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Smiles: O=C(N1C[C@@H]2[C@H](C1)CNCCO2)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1C[C@@H]2[C@H](C1)CNCCO2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: OCC1CC2C(C1)NCCO2
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
OCC1CC2C(C1)NCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2(C1)CNCC2c1ccccc1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2(C1)CNCC2c1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__