AA63681
145681-01-2 | 1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63681
ChemicalName
1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CasNumber
145681-01-2
MolecularFormula
C11H19NO4
MolecularWeight
229.2729
MdlNumber
MFCD03762834
Smiles
COC(=O)C1CCCN1C(=O)OC(C)(C)C
NscNumber
697381
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AA63681
ChemicalName: 1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CasNumber: 145681-01-2
MolecularFormula: C11H19NO4
MolecularWeight: 229.2729
MdlNumber: MFCD03762834
Smiles: COC(=O)C1CCCN1C(=O)OC(C)(C)C
NscNumber: 697381
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AA63681
ChemicalName:
1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate
CasNumber:
145681-01-2
MolecularFormula:
C11H19NO4
MolecularWeight:
229.2729
MdlNumber:
MFCD03762834
Smiles:
COC(=O)C1CCCN1C(=O)OC(C)(C)C
NscNumber:
697381
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: CC([C@H]1CO[S@@](=N1)(=O)c1ccc(cc1)C)C
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CC([C@H]1CO[S@@](=N1)(=O)c1ccc(cc1)C)C
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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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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MdlNumber: __
Smiles: ClC(=C)Cc1ccc(cc1)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ClC(=C)Cc1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1C[C@@H](c2c1cccc2)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1C[C@@H](c2c1cccc2)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__