AG77363
6240-00-2 | 3-Acetylamino-adamantane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG77363
ChemicalName
3-Acetylamino-adamantane-1-carboxylic acid
CasNumber
6240-00-2
MolecularFormula
C13H19NO3
MolecularWeight
237.2949
MdlNumber
MFCD00154633
Smiles
CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)C(=O)O
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
0.9
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CatalogNumber: AG77363
ChemicalName: 3-Acetylamino-adamantane-1-carboxylic acid
CasNumber: 6240-00-2
MolecularFormula: C13H19NO3
MolecularWeight: 237.2949
MdlNumber: MFCD00154633
Smiles: CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)C(=O)O
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.9
CatalogNumber:
AG77363
ChemicalName:
3-Acetylamino-adamantane-1-carboxylic acid
CasNumber:
6240-00-2
MolecularFormula:
C13H19NO3
MolecularWeight:
237.2949
MdlNumber:
MFCD00154633
Smiles:
CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)C(=O)O
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.9
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Smiles: NC(=O)CC12CC3CC(C1)CC(C2)(C3)CC(=O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
NC(=O)CC12CC3CC(C1)CC(C2)(C3)CC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC12CC3CC(C1)CC(C2)(C3)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC12CC3CC(C1)CC(C2)(C3)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C12CC3CC(C1)CC(C2)(C3)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C12CC3CC(C1)CC(C2)(C3)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__