AI16233
1251000-17-5 | 5-Oxo-8-phenyl-2,6-diaza-spiro[3.4]octane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16233
ChemicalName
5-Oxo-8-phenyl-2,6-diaza-spiro[3.4]octane-2-carboxylic acid tert-butyl ester
CasNumber
1251000-17-5
MolecularFormula
C17H22N2O3
MolecularWeight
302.3682
MdlNumber
MFCD17016413
Smiles
O=C(N1CC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity
457
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AI16233
ChemicalName: 5-Oxo-8-phenyl-2,6-diaza-spiro[3.4]octane-2-carboxylic acid tert-butyl ester
CasNumber: 1251000-17-5
MolecularFormula: C17H22N2O3
MolecularWeight: 302.3682
MdlNumber: MFCD17016413
Smiles: O=C(N1CC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity: 457
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AI16233
ChemicalName:
5-Oxo-8-phenyl-2,6-diaza-spiro[3.4]octane-2-carboxylic acid tert-butyl ester
CasNumber:
1251000-17-5
MolecularFormula:
C17H22N2O3
MolecularWeight:
302.3682
MdlNumber:
MFCD17016413
Smiles:
O=C(N1CC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity:
457
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: AI16234
ChemicalName: tert-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate
CasNumber: 1251000-23-3
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD17016907
Smiles: O=C(N1CC(C)(C)Cc2c1c(O)n[nH]2)OC(C)(C)C
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AI16234
ChemicalName:
tert-Butyl 3-hydroxy-6,6-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate
CasNumber:
1251000-23-3
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD17016907
Smiles:
O=C(N1CC(C)(C)Cc2c1c(O)n[nH]2)OC(C)(C)C
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ncc2c(n1)CN(CCN2)C(=O)OC(C)(C)C
Complexity: 348
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ncc2c(n1)CN(CCN2)C(=O)OC(C)(C)C
Complexity:
348
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nnc2n1CCCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nnc2n1CCCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__