AF58841
315717-77-2 | 3-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF58841
ChemicalName
3-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester
CasNumber
315717-77-2
MolecularFormula
C13H18N2O2
MolecularWeight
234.2942
MdlNumber
MFCD06796612
Smiles
NCC1CCN(C1)C(=O)OCc1ccccc1
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AF58841
ChemicalName: 3-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester
CasNumber: 315717-77-2
MolecularFormula: C13H18N2O2
MolecularWeight: 234.2942
MdlNumber: MFCD06796612
Smiles: NCC1CCN(C1)C(=O)OCc1ccccc1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AF58841
ChemicalName:
3-Aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester
CasNumber:
315717-77-2
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.2942
MdlNumber:
MFCD06796612
Smiles:
NCC1CCN(C1)C(=O)OCc1ccccc1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
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Smiles: CNC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CNC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
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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MolecularFormula: __
MolecularWeight: __
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Smiles: C1=CC(=C(N=C1CO)CO)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC(=C(N=C1CO)CO)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1CC(=O)CCN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC1CC(=O)CCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__