AB42964
21339-55-9 | (S)-2-Amino-3-(1-methyl-1h-indol-3-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42964
ChemicalName
(S)-2-Amino-3-(1-methyl-1h-indol-3-yl)propanoic acid
CasNumber
21339-55-9
MolecularFormula
C12H14N2O2
MolecularWeight
218.2518
MdlNumber
MFCD00467133
Smiles
OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N
Complexity
270
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-1.3
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CatalogNumber: AB42964
ChemicalName: (S)-2-Amino-3-(1-methyl-1h-indol-3-yl)propanoic acid
CasNumber: 21339-55-9
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD00467133
Smiles: OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.3
CatalogNumber:
AB42964
ChemicalName:
(S)-2-Amino-3-(1-methyl-1h-indol-3-yl)propanoic acid
CasNumber:
21339-55-9
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD00467133
Smiles:
OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
Complexity: 402
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N
Complexity:
402
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: AB42966
ChemicalName: L-4-Pyridylalanine
CasNumber: 37535-49-2
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD01860883
Smiles: N[C@H](C(=O)O)Cc1ccncc1
Complexity: 155
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -2.6
CatalogNumber:
AB42966
ChemicalName:
L-4-Pyridylalanine
CasNumber:
37535-49-2
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD01860883
Smiles:
N[C@H](C(=O)O)Cc1ccncc1
Complexity:
155
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)CCc1ccccc1
Complexity: 164
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)CCc1ccccc1
Complexity:
164
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2