AB06125
205383-87-5 | 2-Oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-1'-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB06125
ChemicalName
2-Oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-1'-carboxylic acid tert-butyl ester
CasNumber
205383-87-5
MolecularFormula
C16H20N2O3
MolecularWeight
288.3416
MdlNumber
MFCD00083587
Smiles
O=C(N1CCC2(C1)C(=O)Nc1c2cccc1)OC(C)(C)C
Complexity
457
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB06125
ChemicalName: 2-Oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-1'-carboxylic acid tert-butyl ester
CasNumber: 205383-87-5
MolecularFormula: C16H20N2O3
MolecularWeight: 288.3416
MdlNumber: MFCD00083587
Smiles: O=C(N1CCC2(C1)C(=O)Nc1c2cccc1)OC(C)(C)C
Complexity: 457
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB06125
ChemicalName:
2-Oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-1'-carboxylic acid tert-butyl ester
CasNumber:
205383-87-5
MolecularFormula:
C16H20N2O3
MolecularWeight:
288.3416
MdlNumber:
MFCD00083587
Smiles:
O=C(N1CCC2(C1)C(=O)Nc1c2cccc1)OC(C)(C)C
Complexity:
457
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: Cc1nnc(s1)CCC(=O)O
Complexity: __
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Smiles:
Cc1nnc(s1)CCC(=O)O
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Smiles: OC(=O)c1ccc(cc1)C#Cc1cc(C#Cc2ccc(cc2)C(=O)O)cc(c1)C#Cc1ccc(cc1)C(=O)O
Complexity: __
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Smiles:
OC(=O)c1ccc(cc1)C#Cc1cc(C#Cc2ccc(cc2)C(=O)O)cc(c1)C#Cc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: NCCCC[C@@H](C(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCC[C@@H](C(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__