AI30256
1330765-33-7 | tert-Butyl 3-(2-oxopyrrolidin-3-yl)azetidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30256
ChemicalName
tert-Butyl 3-(2-oxopyrrolidin-3-yl)azetidine-1-carboxylate
CasNumber
1330765-33-7
MolecularFormula
C12H20N2O3
MolecularWeight
240.2988
MdlNumber
MFCD20231260
Smiles
O=C(N1CC(C1)C1CCNC1=O)OC(C)(C)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AI30256
ChemicalName: tert-Butyl 3-(2-oxopyrrolidin-3-yl)azetidine-1-carboxylate
CasNumber: 1330765-33-7
MolecularFormula: C12H20N2O3
MolecularWeight: 240.2988
MdlNumber: MFCD20231260
Smiles: O=C(N1CC(C1)C1CCNC1=O)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AI30256
ChemicalName:
tert-Butyl 3-(2-oxopyrrolidin-3-yl)azetidine-1-carboxylate
CasNumber:
1330765-33-7
MolecularFormula:
C12H20N2O3
MolecularWeight:
240.2988
MdlNumber:
MFCD20231260
Smiles:
O=C(N1CC(C1)C1CCNC1=O)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCC2(C1c1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCC2(C1c1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI30259
ChemicalName: tert-Butyl 5-oxo-6,7-dihydro-5h-spiro[[1,6]naphthyridine-8,4'-piperidine]-1'-carboxylate
CasNumber: 1330765-76-8
MolecularFormula: C17H23N3O3
MolecularWeight: 317.3828
MdlNumber: MFCD20230714
Smiles: O=C(N1CCC2(CC1)CNC(=O)c1c2nccc1)OC(C)(C)C
Complexity: 478
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AI30259
ChemicalName:
tert-Butyl 5-oxo-6,7-dihydro-5h-spiro[[1,6]naphthyridine-8,4'-piperidine]-1'-carboxylate
CasNumber:
1330765-76-8
MolecularFormula:
C17H23N3O3
MolecularWeight:
317.3828
MdlNumber:
MFCD20230714
Smiles:
O=C(N1CCC2(CC1)CNC(=O)c1c2nccc1)OC(C)(C)C
Complexity:
478
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4