AA65543
147228-37-3 | (R)-Homobenzyl-beta-alanine
Manufacturer: A2B Chem
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CatalogNumber
AA65543
ChemicalName
(R)-Homobenzyl-beta-alanine
CasNumber
147228-37-3
MolecularFormula
C11H15NO2
MolecularWeight
193.2423
MdlNumber
MFCD01076261
Smiles
N[C@@H](CC(=O)O)CCc1ccccc1
Complexity
176
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
-1.1
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CatalogNumber: AA65543
ChemicalName: (R)-Homobenzyl-beta-alanine
CasNumber: 147228-37-3
MolecularFormula: C11H15NO2
MolecularWeight: 193.2423
MdlNumber: MFCD01076261
Smiles: N[C@@H](CC(=O)O)CCc1ccccc1
Complexity: 176
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -1.1
CatalogNumber:
AA65543
ChemicalName:
(R)-Homobenzyl-beta-alanine
CasNumber:
147228-37-3
MolecularFormula:
C11H15NO2
MolecularWeight:
193.2423
MdlNumber:
MFCD01076261
Smiles:
N[C@@H](CC(=O)O)CCc1ccccc1
Complexity:
176
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-1.1
CatalogNumber: __
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Smiles: N[C@H](CC(C)(C)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
N[C@H](CC(C)(C)C)CC(=O)O
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1CN([C@H](C1)C(=O)[O-])C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
O=C1CN([C@H](C1)C(=O)[O-])C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCCCCc1ccc(c(c1F)F)B(O)O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
CCCCCCCCc1ccc(c(c1F)F)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__