AI28813
1272757-81-9 | cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI28813
ChemicalName
cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CasNumber
1272757-81-9
MolecularFormula
C12H18FNO4
MolecularWeight
259.274
MdlNumber
MFCD20231066
Smiles
F[C@H]1CC2CC1N([C@@H]2C(=O)O)C(=O)OC(C)(C)C
Complexity
379
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AI28813
ChemicalName: cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CasNumber: 1272757-81-9
MolecularFormula: C12H18FNO4
MolecularWeight: 259.274
MdlNumber: MFCD20231066
Smiles: F[C@H]1CC2CC1N([C@@H]2C(=O)O)C(=O)OC(C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AI28813
ChemicalName:
cis-2-(tert-Butoxycarbonyl)-6-fluoro-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CasNumber:
1272757-81-9
MolecularFormula:
C12H18FNO4
MolecularWeight:
259.274
MdlNumber:
MFCD20231066
Smiles:
F[C@H]1CC2CC1N([C@@H]2C(=O)O)C(=O)OC(C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
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Smiles: COC(=O)CC(C(C)(C)C)N.Cl
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Smiles:
COC(=O)CC(C(C)(C)C)N.Cl
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Smiles: CC1(CCCNC1)c1onc(n1)c1ccccc1.Cl
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Smiles:
CC1(CCCNC1)c1onc(n1)c1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: S=C(N(C)C)Nc1cccc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C(N(C)C)Nc1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__