AI16310
1251009-05-8 | 6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16310
ChemicalName
6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CasNumber
1251009-05-8
MolecularFormula
C20H27N3O5
MolecularWeight
389.4455
MdlNumber
MFCD14581159
Smiles
O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
Complexity
612
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AI16310
ChemicalName: 6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CasNumber: 1251009-05-8
MolecularFormula: C20H27N3O5
MolecularWeight: 389.4455
MdlNumber: MFCD14581159
Smiles: O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 612
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI16310
ChemicalName:
6-Benzyl 2-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CasNumber:
1251009-05-8
MolecularFormula:
C20H27N3O5
MolecularWeight:
389.4455
MdlNumber:
MFCD14581159
Smiles:
O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
612
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@@H]2[C@@H](C1)NCCO2)OC(C)(C)C
Complexity: 288
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@@H]2[C@@H](C1)NCCO2)OC(C)(C)C
Complexity:
288
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: AI16312
ChemicalName: 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)indolizine-6-carboxylic acid
CasNumber: 1251009-25-2
MolecularFormula: C18H23N3O4
MolecularWeight: 345.3929
MdlNumber: MFCD14581128
Smiles: O=C(N1CCN(CC1)c1ccc2n1cc(cc2)C(=O)O)OC(C)(C)C
Complexity: 511
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
AI16312
ChemicalName:
3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)indolizine-6-carboxylic acid
CasNumber:
1251009-25-2
MolecularFormula:
C18H23N3O4
MolecularWeight:
345.3929
MdlNumber:
MFCD14581128
Smiles:
O=C(N1CCN(CC1)c1ccc2n1cc(cc2)C(=O)O)OC(C)(C)C
Complexity:
511
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2(C1)CNCCCO2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2(C1)CNCCCO2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__