AI16402
1251021-00-7 | 5-Benzyloxycarbonylamino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16402
ChemicalName
5-Benzyloxycarbonylamino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester
CasNumber
1251021-00-7
MolecularFormula
C19H26N2O4
MolecularWeight
346.4207
MdlNumber
MFCD17016197
Smiles
O=C(NC1CCC21CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity
502
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AI16402
ChemicalName: 5-Benzyloxycarbonylamino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester
CasNumber: 1251021-00-7
MolecularFormula: C19H26N2O4
MolecularWeight: 346.4207
MdlNumber: MFCD17016197
Smiles: O=C(NC1CCC21CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 502
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AI16402
ChemicalName:
5-Benzyloxycarbonylamino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester
CasNumber:
1251021-00-7
MolecularFormula:
C19H26N2O4
MolecularWeight:
346.4207
MdlNumber:
MFCD17016197
Smiles:
O=C(NC1CCC21CN(C2)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
502
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Nc2c(C31CCOCC3)cc(cc2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2c(C31CCOCC3)cc(cc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1N[C@H]2[C@@H](C1)N(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N[C@H]2[C@@H](C1)N(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@@H]2[C@H](C1)[C@@H](CCC2)C(=O)O)OC(C)(C)C
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@@H]2[C@H](C1)[C@@H](CCC2)C(=O)O)OC(C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2