AI43602
194874-12-9 | N-Benzyl-n-(3-cyanopropyl)-glycine ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI43602
ChemicalName
N-Benzyl-n-(3-cyanopropyl)-glycine ethyl ester
CasNumber
194874-12-9
MolecularFormula
C15H20N2O2
MolecularWeight
260.3315
MdlNumber
MFCD00086985
Smiles
CCOC(=O)CN(Cc1ccccc1)CCCC#N
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
9
Xlogp3
2.1
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CatalogNumber: AI43602
ChemicalName: N-Benzyl-n-(3-cyanopropyl)-glycine ethyl ester
CasNumber: 194874-12-9
MolecularFormula: C15H20N2O2
MolecularWeight: 260.3315
MdlNumber: MFCD00086985
Smiles: CCOC(=O)CN(Cc1ccccc1)CCCC#N
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 9
Xlogp3: 2.1
CatalogNumber:
AI43602
ChemicalName:
N-Benzyl-n-(3-cyanopropyl)-glycine ethyl ester
CasNumber:
194874-12-9
MolecularFormula:
C15H20N2O2
MolecularWeight:
260.3315
MdlNumber:
MFCD00086985
Smiles:
CCOC(=O)CN(Cc1ccccc1)CCCC#N
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
9
Xlogp3:
2.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: CO[C@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CO[C@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=CC[C@H]([C@H]([C@@H](CO)O)O)O
Complexity: __
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Smiles:
O=CC[C@H]([C@H]([C@@H](CO)O)O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__