AI16174
1250993-43-1 | 3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16174
ChemicalName
3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-tert-butyl ester
CasNumber
1250993-43-1
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD14581338
Smiles
O=C(N1CC2C(C1)(CC2)C(=O)O)OC(C)(C)C
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1
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CatalogNumber: AI16174
ChemicalName: 3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-tert-butyl ester
CasNumber: 1250993-43-1
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD14581338
Smiles: O=C(N1CC2C(C1)(CC2)C(=O)O)OC(C)(C)C
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1
CatalogNumber:
AI16174
ChemicalName:
3-Aza-bicyclo[3.2.0]heptane-1,3-dicarboxylic acid 3-tert-butyl ester
CasNumber:
1250993-43-1
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD14581338
Smiles:
O=C(N1CC2C(C1)(CC2)C(=O)O)OC(C)(C)C
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1
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Smiles: O=C1CC[C@H]2[C@@H]1CCN(C2)C(=O)OC(C)(C)C
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=C1CC[C@H]2[C@@H]1CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)N[C@H]1c2ccccc2[C@H]2[C@@H]1CNC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@H]1c2ccccc2[C@H]2[C@@H]1CNC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@H]1CCC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@H]1CCC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__