AA35071
1260780-98-0 | Methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA35071
ChemicalName
Methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber
1260780-98-0
MolecularFormula
C13H15NO3
MolecularWeight
233.2631
MdlNumber
MFCD15527906
Smiles
COC(=O)c1ccc(c(c1)C)N1CCCC1=O
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AA35071
ChemicalName: Methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber: 1260780-98-0
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD15527906
Smiles: COC(=O)c1ccc(c(c1)C)N1CCCC1=O
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA35071
ChemicalName:
Methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
CasNumber:
1260780-98-0
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD15527906
Smiles:
COC(=O)c1ccc(c(c1)C)N1CCCC1=O
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: [O-]C(=O)c1cccc2c1cnn2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
[O-]C(=O)c1cccc2c1cnn2C(=O)OC(C)(C)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: O=C(OC(C)(C)C)NC1CCNCC1C(F)(F)F
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
O=C(OC(C)(C)C)NC1CCNCC1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(N1CCC(C1)(C(=O)O)C(F)(F)F)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(C1)(C(=O)O)C(F)(F)F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__