AI41242
1823406-41-2 | 5-(tert-Butoxycarbonyl)octahydrofuro[3,2-c]pyridine-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI41242
ChemicalName
5-(tert-Butoxycarbonyl)octahydrofuro[3,2-c]pyridine-7-carboxylic acid
CasNumber
1823406-41-2
MolecularFormula
C13H21NO5
MolecularWeight
271.30954
MdlNumber
MFCD29917004
Smiles
O=C(N1CC2CCOC2C(C1)C(=O)O)OC(C)(C)C
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
3
Xlogp3
0.7
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CatalogNumber: AI41242
ChemicalName: 5-(tert-Butoxycarbonyl)octahydrofuro[3,2-c]pyridine-7-carboxylic acid
CasNumber: 1823406-41-2
MolecularFormula: C13H21NO5
MolecularWeight: 271.30954
MdlNumber: MFCD29917004
Smiles: O=C(N1CC2CCOC2C(C1)C(=O)O)OC(C)(C)C
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 3
Xlogp3: 0.7
CatalogNumber:
AI41242
ChemicalName:
5-(tert-Butoxycarbonyl)octahydrofuro[3,2-c]pyridine-7-carboxylic acid
CasNumber:
1823406-41-2
MolecularFormula:
C13H21NO5
MolecularWeight:
271.30954
MdlNumber:
MFCD29917004
Smiles:
O=C(N1CC2CCOC2C(C1)C(=O)O)OC(C)(C)C
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
3
Xlogp3:
0.7
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Smiles: O=C(OCc1ccccc1)NCC1(O)CCCCNC1.Cl
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Smiles:
O=C(OCc1ccccc1)NCC1(O)CCCCNC1.Cl
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: NCC1CCC(CN1C(=O)OCc1ccccc1)C.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
NCC1CCC(CN1C(=O)OCc1ccccc1)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOC1=C(C(=C(C=C1)C(=O)O)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC1=C(C(=C(C=C1)C(=O)O)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__