AE19569
1146160-08-8 | Methyl N-BOC-(2R,4R)-4-Aminopyrrolidine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE19569
ChemicalName
Methyl N-BOC-(2R,4R)-4-Aminopyrrolidine-2-carboxylate
CasNumber
1146160-08-8
MolecularFormula
C11H20N2O4
MolecularWeight
244.2875
MdlNumber
MFCD00214089
Smiles
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N
Complexity
311
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.3
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CatalogNumber: AE19569
ChemicalName: Methyl N-BOC-(2R,4R)-4-Aminopyrrolidine-2-carboxylate
CasNumber: 1146160-08-8
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD00214089
Smiles: CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N
Complexity: 311
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.3
CatalogNumber:
AE19569
ChemicalName:
Methyl N-BOC-(2R,4R)-4-Aminopyrrolidine-2-carboxylate
CasNumber:
1146160-08-8
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD00214089
Smiles:
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N
Complexity:
311
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.3
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Smiles: CC1=CC=CC=C1C2CN(CC2C(=O)O)CC3=CC=CC=C3
Complexity: __
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Smiles:
CC1=CC=CC=C1C2CN(CC2C(=O)O)CC3=CC=CC=C3
Complexity:
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Smiles: N1C[C@H]2C[C@@H]1CN2
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Smiles:
N1C[C@H]2C[C@@H]1CN2
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=O)O.NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O.NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__