AI30789
1341037-48-6 | 1-[(tert-Butoxy)carbonyl]-1h,2h,3h-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI30789
ChemicalName
1-[(tert-Butoxy)carbonyl]-1h,2h,3h-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CasNumber
1341037-48-6
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD21362318
Smiles
O=C(N1CCc2c1ncc(c2)C(=O)O)OC(C)(C)C
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI30789
ChemicalName: 1-[(tert-Butoxy)carbonyl]-1h,2h,3h-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CasNumber: 1341037-48-6
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD21362318
Smiles: O=C(N1CCc2c1ncc(c2)C(=O)O)OC(C)(C)C
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI30789
ChemicalName:
1-[(tert-Butoxy)carbonyl]-1h,2h,3h-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CasNumber:
1341037-48-6
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD21362318
Smiles:
O=C(N1CCc2c1ncc(c2)C(=O)O)OC(C)(C)C
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
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Smiles: OC1CCN(CC(=O)C1)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
OC1CCN(CC(=O)C1)C(=O)OC(C)(C)C
Complexity:
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__
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Smiles: N1CCC(CC1)OC1CCC1.Cl
Complexity: 117
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Smiles:
N1CCC(CC1)OC1CCC1.Cl
Complexity:
117
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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Smiles: CCOC(=O)c1ncn2c1CNS(=O)(=O)c1c2cccc1
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)c1ncn2c1CNS(=O)(=O)c1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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