AI09939
1158755-34-0 | 2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI09939
ChemicalName
2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid
CasNumber
1158755-34-0
MolecularFormula
C16H21NO4
MolecularWeight
291.34223999999995
MdlNumber
MFCD12406199
Smiles
O=C(N1CCc2c(C1)cc(cc2)CC(=O)O)OC(C)(C)C
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AI09939
ChemicalName: 2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid
CasNumber: 1158755-34-0
MolecularFormula: C16H21NO4
MolecularWeight: 291.34223999999995
MdlNumber: MFCD12406199
Smiles: O=C(N1CCc2c(C1)cc(cc2)CC(=O)O)OC(C)(C)C
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AI09939
ChemicalName:
2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetic acid
CasNumber:
1158755-34-0
MolecularFormula:
C16H21NO4
MolecularWeight:
291.34223999999995
MdlNumber:
MFCD12406199
Smiles:
O=C(N1CCc2c(C1)cc(cc2)CC(=O)O)OC(C)(C)C
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
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Smiles: O=C(NC1(C)CNC1)OCc1ccccc1
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Smiles:
O=C(NC1(C)CNC1)OCc1ccccc1
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Smiles: CCC1(CN)CN(C1)C(=O)OC(C)(C)C
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Smiles:
CCC1(CN)CN(C1)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCC1(CNC1)CNC(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCC1(CNC1)CNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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