AB52331
128502-56-7 | (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
Manufacturer: A2B Chem
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CatalogNumber
AB52331
ChemicalName
(3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
CasNumber
128502-56-7
MolecularFormula
C10H11NO3
MolecularWeight
193.1992
MdlNumber
MFCD00819133
Smiles
OC(=O)[C@H]1NCc2c(C1)ccc(c2)O
Complexity
231
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
-1.7
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CatalogNumber: AB52331
ChemicalName: (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
CasNumber: 128502-56-7
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD00819133
Smiles: OC(=O)[C@H]1NCc2c(C1)ccc(c2)O
Complexity: 231
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: -1.7
CatalogNumber:
AB52331
ChemicalName:
(3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
CasNumber:
128502-56-7
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD00819133
Smiles:
OC(=O)[C@H]1NCc2c(C1)ccc(c2)O
Complexity:
231
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.7
CatalogNumber: AB52332
ChemicalName: (S)-1-Methylpyrrolidin-3-amine
CasNumber: 214357-95-6
MolecularFormula: C5H12N2
MolecularWeight: 100.1622
MdlNumber: MFCD09029382
Smiles: CN1CC[C@@H](C1)N
Complexity: 63.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
AB52332
ChemicalName:
(S)-1-Methylpyrrolidin-3-amine
CasNumber:
214357-95-6
MolecularFormula:
C5H12N2
MolecularWeight:
100.1622
MdlNumber:
MFCD09029382
Smiles:
CN1CC[C@@H](C1)N
Complexity:
63.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@@H](NS(=O)(=O)c1cccc2c1ncc(c2)C)CCCNC(=N)N[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@@H](NS(=O)(=O)c1cccc2c1ncc(c2)C)CCCNC(=N)N[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=S)nc2N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=S)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__