AA82085
159877-36-8 | 1-Boc-octahydro-pyrrolo[3,4-b]pyridine
Manufacturer: A2B Chem
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CatalogNumber
AA82085
ChemicalName
1-Boc-octahydro-pyrrolo[3,4-b]pyridine
CasNumber
159877-36-8
MolecularFormula
C12H22N2O2
MolecularWeight
226.31528000000012
MdlNumber
MFCD06858490
Smiles
O=C(N1CCCC2C1CNC2)OC(C)(C)C
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.3
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CatalogNumber: AA82085
ChemicalName: 1-Boc-octahydro-pyrrolo[3,4-b]pyridine
CasNumber: 159877-36-8
MolecularFormula: C12H22N2O2
MolecularWeight: 226.31528000000012
MdlNumber: MFCD06858490
Smiles: O=C(N1CCCC2C1CNC2)OC(C)(C)C
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.3
CatalogNumber:
AA82085
ChemicalName:
1-Boc-octahydro-pyrrolo[3,4-b]pyridine
CasNumber:
159877-36-8
MolecularFormula:
C12H22N2O2
MolecularWeight:
226.31528000000012
MdlNumber:
MFCD06858490
Smiles:
O=C(N1CCCC2C1CNC2)OC(C)(C)C
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCCC2C1CN(C2)Cc1ccccc1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCCC2C1CN(C2)Cc1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA82087
ChemicalName: Boc-D-Orn-OH
CasNumber: 159877-12-0
MolecularFormula: C10H20N2O4
MolecularWeight: 232.2768
MdlNumber: MFCD00236869
Smiles: NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: -1.9
CatalogNumber:
AA82087
ChemicalName:
Boc-D-Orn-OH
CasNumber:
159877-12-0
MolecularFormula:
C10H20N2O4
MolecularWeight:
232.2768
MdlNumber:
MFCD00236869
Smiles:
NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)OC(C)(C)C)CCCOS(=O)(=O)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)OC(C)(C)C)CCCOS(=O)(=O)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__