AE81449
188011-69-0 | 4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE81449
ChemicalName
4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid
CasNumber
188011-69-0
MolecularFormula
C9H9BrN2O3
MolecularWeight
273.08335999999997
MdlNumber
MFCD00116442
Smiles
O=C(Nc1ccc(cn1)Br)CCC(=O)O
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.5
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CatalogNumber: AE81449
ChemicalName: 4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid
CasNumber: 188011-69-0
MolecularFormula: C9H9BrN2O3
MolecularWeight: 273.08335999999997
MdlNumber: MFCD00116442
Smiles: O=C(Nc1ccc(cn1)Br)CCC(=O)O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.5
CatalogNumber:
AE81449
ChemicalName:
4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid
CasNumber:
188011-69-0
MolecularFormula:
C9H9BrN2O3
MolecularWeight:
273.08335999999997
MdlNumber:
MFCD00116442
Smiles:
O=C(Nc1ccc(cn1)Br)CCC(=O)O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.5
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Smiles: C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C
Complexity: __
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RotatableBondCount: __
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Smiles:
C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C
Complexity:
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RotatableBondCount:
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Smiles: O=C([C@@H]([C@@H](C(=O)N)CC1CC1)CCC(F)(F)F)N[C@H]1N=C(c2ccccc2)c2c(NC1=O)c(F)ccc2
Complexity: __
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HydrogenBondDonorCount: __
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Smiles:
O=C([C@@H]([C@@H](C(=O)N)CC1CC1)CCC(F)(F)F)N[C@H]1N=C(c2ccccc2)c2c(NC1=O)c(F)ccc2
Complexity:
__
Covalently-bondedUnitCount:
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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: CCCC[C@H](C(=O)O)NC(=O)[C@@H](Cc1cn(c2c1cccc2)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCC[C@H](C(=O)O)NC(=O)[C@@H](Cc1cn(c2c1cccc2)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__