AB59007
70702-47-5 | 3-(3-Pyridyl)-D-alanine
Manufacturer: A2B Chem
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CatalogNumber
AB59007
ChemicalName
3-(3-Pyridyl)-D-alanine
CasNumber
70702-47-5
MolecularFormula
C8H10N2O2
MolecularWeight
166.1772
MdlNumber
MFCD00079673
Smiles
OC(=O)[C@@H](Cc1cccnc1)N
Complexity
161
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-2.5
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CatalogNumber: AB59007
ChemicalName: 3-(3-Pyridyl)-D-alanine
CasNumber: 70702-47-5
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD00079673
Smiles: OC(=O)[C@@H](Cc1cccnc1)N
Complexity: 161
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.5
CatalogNumber:
AB59007
ChemicalName:
3-(3-Pyridyl)-D-alanine
CasNumber:
70702-47-5
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD00079673
Smiles:
OC(=O)[C@@H](Cc1cccnc1)N
Complexity:
161
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.5
CatalogNumber: AB59008
ChemicalName: Indoprofen
CasNumber: 31842-01-0
MolecularFormula: C17H15NO3
MolecularWeight: 281.3059
MdlNumber: MFCD00057144
Smiles: OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C
Complexity: 414
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB59008
ChemicalName:
Indoprofen
CasNumber:
31842-01-0
MolecularFormula:
C17H15NO3
MolecularWeight:
281.3059
MdlNumber:
MFCD00057144
Smiles:
OC(=O)C(c1ccc(cc1)N1Cc2c(C1=O)cccc2)C
Complexity:
414
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AB59009
ChemicalName: 2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber: 383135-47-5
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD02664818
Smiles: CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Complexity: 307
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB59009
ChemicalName:
2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber:
383135-47-5
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD02664818
Smiles:
CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Complexity:
307
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)COC(=N1)c1ccc2c(n1)cccc2
Complexity: 324
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)COC(=N1)c1ccc2c(n1)cccc2
Complexity:
324
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6