AI60587
90544-87-9 | 4-(Methoxycarbonylmethyl-amino)-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI60587
ChemicalName
4-(Methoxycarbonylmethyl-amino)-benzoic acid methyl ester
CasNumber
90544-87-9
MolecularFormula
C11H13NO4
MolecularWeight
223.2252
MdlNumber
MFCD12401906
Smiles
COC(=O)CNc1ccc(cc1)C(=O)OC
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AI60587
ChemicalName: 4-(Methoxycarbonylmethyl-amino)-benzoic acid methyl ester
CasNumber: 90544-87-9
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD12401906
Smiles: COC(=O)CNc1ccc(cc1)C(=O)OC
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AI60587
ChemicalName:
4-(Methoxycarbonylmethyl-amino)-benzoic acid methyl ester
CasNumber:
90544-87-9
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD12401906
Smiles:
COC(=O)CNc1ccc(cc1)C(=O)OC
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](CCc1cc(=O)oc2c1ccc(c2)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)[C@H](CCc1cc(=O)oc2c1ccc(c2)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Clc1ncc2c(c1)cc([nH]2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ncc2c(c1)cc([nH]2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc(oc1c1ccc(cc1)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc(oc1c1ccc(cc1)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__