AE11546
1209492-73-8 | 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE11546
ChemicalName
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber
1209492-73-8
MolecularFormula
C12H17N3O4
MolecularWeight
267.2811
MdlNumber
MFCD31560798
Smiles
O=C(N1CCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Complexity
380
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AE11546
ChemicalName: 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber: 1209492-73-8
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD31560798
Smiles: O=C(N1CCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AE11546
ChemicalName:
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber:
1209492-73-8
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD31560798
Smiles:
O=C(N1CCn2c(C1)cc(n2)C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: Clc1ccc(nn1)c1c[nH]nc1
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Smiles:
Clc1ccc(nn1)c1c[nH]nc1
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Smiles: C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)O
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Smiles:
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)O
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1
Complexity: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__