AI43395
1932427-48-9 | Cis-tert-butyl 3-(aminomethyl)-4-methylpyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI43395
ChemicalName
Cis-tert-butyl 3-(aminomethyl)-4-methylpyrrolidine-1-carboxylate
CasNumber
1932427-48-9
MolecularFormula
C22H44N4O4
MolecularWeight
428.6092
MdlNumber
MFCD20039701
Smiles
NC[C@H]1CN(C[C@H]1C)C(=O)OC(C)(C)C.NC[C@@H]1CN(C[C@@H]1C)C(=O)OC(C)(C)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1
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CatalogNumber: AI43395
ChemicalName: Cis-tert-butyl 3-(aminomethyl)-4-methylpyrrolidine-1-carboxylate
CasNumber: 1932427-48-9
MolecularFormula: C22H44N4O4
MolecularWeight: 428.6092
MdlNumber: MFCD20039701
Smiles: NC[C@H]1CN(C[C@H]1C)C(=O)OC(C)(C)C.NC[C@@H]1CN(C[C@@H]1C)C(=O)OC(C)(C)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1
CatalogNumber:
AI43395
ChemicalName:
Cis-tert-butyl 3-(aminomethyl)-4-methylpyrrolidine-1-carboxylate
CasNumber:
1932427-48-9
MolecularFormula:
C22H44N4O4
MolecularWeight:
428.6092
MdlNumber:
MFCD20039701
Smiles:
NC[C@H]1CN(C[C@H]1C)C(=O)OC(C)(C)C.NC[C@@H]1CN(C[C@@H]1C)C(=O)OC(C)(C)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1
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Smiles: C[C@@H](N(C(=O)OCc1ccccc1)C)CNC(=O)OC(C)(C)C
Complexity: __
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Smiles:
C[C@@H](N(C(=O)OCc1ccccc1)C)CNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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RotatableBondCount:
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Smiles: OC[C@H](c1c[nH]c2c1cc(Br)cc2)C
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__
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
OC[C@H](c1c[nH]c2c1cc(Br)cc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: F[C@H]1CNCC[C@@]1(O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[C@H]1CNCC[C@@]1(O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__