AB52951
280762-00-7 | Exo-8-boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52951
ChemicalName
Exo-8-boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CasNumber
280762-00-7
MolecularFormula
C13H21NO4
MolecularWeight
255.3101
MdlNumber
MFCD17214355
Smiles
OC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C
Complexity
347
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB52951
ChemicalName: Exo-8-boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CasNumber: 280762-00-7
MolecularFormula: C13H21NO4
MolecularWeight: 255.3101
MdlNumber: MFCD17214355
Smiles: OC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C
Complexity: 347
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB52951
ChemicalName:
Exo-8-boc-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CasNumber:
280762-00-7
MolecularFormula:
C13H21NO4
MolecularWeight:
255.3101
MdlNumber:
MFCD17214355
Smiles:
OC(=O)[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C
Complexity:
347
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OC(C)(C)C)C[C@@H](N(C(=O)OCC1c2ccccc2-c2c1cccc2)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)C[C@@H](N(C(=O)OCC1c2ccccc2-c2c1cccc2)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__