AI08719
1115-69-1 | N-Acetyl-DL-alanine
Manufacturer: A2B Chem
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CatalogNumber
AI08719
ChemicalName
N-Acetyl-DL-alanine
CasNumber
1115-69-1
MolecularFormula
C5H9NO3
MolecularWeight
131.1299
MdlNumber
MFCD00037238
Smiles
CC(=O)NC(C(=O)O)C
Complexity
132
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.9
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CatalogNumber: AI08719
ChemicalName: N-Acetyl-DL-alanine
CasNumber: 1115-69-1
MolecularFormula: C5H9NO3
MolecularWeight: 131.1299
MdlNumber: MFCD00037238
Smiles: CC(=O)NC(C(=O)O)C
Complexity: 132
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.9
CatalogNumber:
AI08719
ChemicalName:
N-Acetyl-DL-alanine
CasNumber:
1115-69-1
MolecularFormula:
C5H9NO3
MolecularWeight:
131.1299
MdlNumber:
MFCD00037238
Smiles:
CC(=O)NC(C(=O)O)C
Complexity:
132
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.9
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C(N[C@H](c1ccccc1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: 537
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.3
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(N[C@H](c1ccccc1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
537
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cnn1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cnn1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__