AA82201
159990-12-2 | Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA82201
ChemicalName
Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
CasNumber
159990-12-2
MolecularFormula
C15H21NO5
MolecularWeight
295.3309
MdlNumber
MFCD03427900
Smiles
COc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity
356
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
1.9
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CatalogNumber: AA82201
ChemicalName: Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
CasNumber: 159990-12-2
MolecularFormula: C15H21NO5
MolecularWeight: 295.3309
MdlNumber: MFCD03427900
Smiles: COc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity: 356
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 1.9
CatalogNumber:
AA82201
ChemicalName:
Boc-(s)-3-amino-3-(4-methoxy-phenyl)-propionic acid
CasNumber:
159990-12-2
MolecularFormula:
C15H21NO5
MolecularWeight:
295.3309
MdlNumber:
MFCD03427900
Smiles:
COc1ccc(cc1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Complexity:
356
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
1.9
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Smiles: CCCCCCC(C(CCCCCC)O)O
Complexity: __
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Smiles:
CCCCCCC(C(CCCCCC)O)O
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Smiles: N#Cc1c(OC)ccc2c1cccc2
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Smiles:
N#Cc1c(OC)ccc2c1cccc2
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=S1CCCC1
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=S1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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