AA19414
1147422-00-1 | Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA19414
ChemicalName
Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
CasNumber
1147422-00-1
MolecularFormula
C12H22N2O2
MolecularWeight
226.31528000000006
MdlNumber
MFCD11877862
Smiles
O=C(N1CCC2C1CCNC2)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: AA19414
ChemicalName: Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
CasNumber: 1147422-00-1
MolecularFormula: C12H22N2O2
MolecularWeight: 226.31528000000006
MdlNumber: MFCD11877862
Smiles: O=C(N1CCC2C1CCNC2)OC(C)(C)C
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.3
CatalogNumber:
AA19414
ChemicalName:
Octahydro-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester
CasNumber:
1147422-00-1
MolecularFormula:
C12H22N2O2
MolecularWeight:
226.31528000000006
MdlNumber:
MFCD11877862
Smiles:
O=C(N1CCC2C1CCNC2)OC(C)(C)C
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.3
CatalogNumber: __
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Smiles: CCOC(=O)[C@@H]1CCC[C@H]1N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CCOC(=O)[C@@H]1CCC[C@H]1N
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: CCOC(=O)[C@@H]1CCC[C@@H]1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)[C@@H]1CCC[C@@H]1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OC)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__