AA14594
1160248-35-0 | 5-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA14594
ChemicalName
5-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CasNumber
1160248-35-0
MolecularFormula
C11H15N3O4
MolecularWeight
253.2545
MdlNumber
MFCD12198804
Smiles
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)O)OC(C)(C)C
Complexity
366
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AA14594
ChemicalName: 5-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CasNumber: 1160248-35-0
MolecularFormula: C11H15N3O4
MolecularWeight: 253.2545
MdlNumber: MFCD12198804
Smiles: O=C(N1Cc2c(C1)c(n[nH]2)C(=O)O)OC(C)(C)C
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AA14594
ChemicalName:
5-(tert-Butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CasNumber:
1160248-35-0
MolecularFormula:
C11H15N3O4
MolecularWeight:
253.2545
MdlNumber:
MFCD12198804
Smiles:
O=C(N1Cc2c(C1)c(n[nH]2)C(=O)O)OC(C)(C)C
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
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Smiles: Clc1nc(Cl)c2c(n1)CCN(C2)C(=O)OCc1ccccc1
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Clc1nc(Cl)c2c(n1)CCN(C2)C(=O)OCc1ccccc1
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Smiles: CCOC(=O)c1ncn2c1c(Cl)ncc2
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CCOC(=O)c1ncn2c1c(Cl)ncc2
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Smiles: O=C(N1CCC2C(C1)CCN2)OC(C)(C)C
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CasNumber:
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MolecularFormula:
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Smiles:
O=C(N1CCC2C(C1)CCN2)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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