AI32287
1357352-29-4 | 1-Hydroxy-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI32287
ChemicalName
1-Hydroxy-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber
1357352-29-4
MolecularFormula
C14H25NO3
MolecularWeight
255.3532
MdlNumber
MFCD18073908
Smiles
O=C(N1CCC2(CC1)CCCC2O)OC(C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AI32287
ChemicalName: 1-Hydroxy-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber: 1357352-29-4
MolecularFormula: C14H25NO3
MolecularWeight: 255.3532
MdlNumber: MFCD18073908
Smiles: O=C(N1CCC2(CC1)CCCC2O)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AI32287
ChemicalName:
1-Hydroxy-8-aza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester
CasNumber:
1357352-29-4
MolecularFormula:
C14H25NO3
MolecularWeight:
255.3532
MdlNumber:
MFCD18073908
Smiles:
O=C(N1CCC2(CC1)CCCC2O)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@H]2[C@@](C1)(C[C@H]1[C@@H]2CN(C1)C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@H]2[C@@](C1)(C[C@H]1[C@@H]2CN(C1)C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI32291
ChemicalName: 6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
CasNumber: 1357352-35-2
MolecularFormula: C15H23F3N2O4
MolecularWeight: 352.3493
MdlNumber: MFCD22209626
Smiles: CCOC(=O)C12CNCC2(CN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity: 532
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.5
CatalogNumber:
AI32291
ChemicalName:
6A-Trifluoromethyl-tetrahydro-pyrrolo[3,4-c]pyrrole-2,3a-dicarboxylic acid 2-tert-butyl ester 3a-ethyl ester
CasNumber:
1357352-35-2
MolecularFormula:
C15H23F3N2O4
MolecularWeight:
352.3493
MdlNumber:
MFCD22209626
Smiles:
CCOC(=O)C12CNCC2(CN(C1)C(=O)OC(C)(C)C)C(F)(F)F
Complexity:
532
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@]12CN(C[C@H]1SCCC2=O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@]12CN(C[C@H]1SCCC2=O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__