AB00642
178172-26-4 | (S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB00642
ChemicalName
(S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester
CasNumber
178172-26-4
MolecularFormula
C12H19NO4
MolecularWeight
241.2836
MdlNumber
MFCD11501326
Smiles
CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
1.9
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CatalogNumber: AB00642
ChemicalName: (S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester
CasNumber: 178172-26-4
MolecularFormula: C12H19NO4
MolecularWeight: 241.2836
MdlNumber: MFCD11501326
Smiles: CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AB00642
ChemicalName:
(S)-1-Boc-2,3-dihydro-2-pyrrolecarboxylic acid ethyl ester
CasNumber:
178172-26-4
MolecularFormula:
C12H19NO4
MolecularWeight:
241.2836
MdlNumber:
MFCD11501326
Smiles:
CCOC(=O)[C@@H]1CC=CN1C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: __
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Smiles: O=C(N1CCCCC=C1)OC(C)(C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
O=C(N1CCCCC=C1)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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Smiles: OC(=O)CCC1(C)CCc2c(O1)c(C)c(c(c2)O)C
Complexity: __
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Smiles:
OC(=O)CCC1(C)CCc2c(O1)c(C)c(c(c2)O)C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: Brc1ccc(cc1)CN1CCCCC1
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Smiles:
Brc1ccc(cc1)CN1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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