AI44905
212650-48-1 | 2-(2-Carboxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI44905
ChemicalName
2-(2-Carboxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber
212650-48-1
MolecularFormula
C12H21NO4
MolecularWeight
243.29943999999995
MdlNumber
MFCD20232576
Smiles
OC(=O)CCC1CCCN1C(=O)OC(C)(C)C
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AI44905
ChemicalName: 2-(2-Carboxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber: 212650-48-1
MolecularFormula: C12H21NO4
MolecularWeight: 243.29943999999995
MdlNumber: MFCD20232576
Smiles: OC(=O)CCC1CCCN1C(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AI44905
ChemicalName:
2-(2-Carboxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CasNumber:
212650-48-1
MolecularFormula:
C12H21NO4
MolecularWeight:
243.29943999999995
MdlNumber:
MFCD20232576
Smiles:
OC(=O)CCC1CCCN1C(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: NC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2.Cl
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
NC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2.Cl
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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Smiles: O=C(/C=C/c1ccc(cc1)O)NCCc1c[nH]c2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(/C=C/c1ccc(cc1)O)NCCc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)C2(N1)CSCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C2(N1)CSCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__