AB09467
200260-37-3 | D-Aspartic acid alpha-amide
Manufacturer: A2B Chem
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CatalogNumber
AB09467
ChemicalName
D-Aspartic acid alpha-amide
CasNumber
200260-37-3
MolecularFormula
C4H8N2O3
MolecularWeight
132.1179
MdlNumber
MFCD00237411
Smiles
OC(=O)C[C@H](C(=O)N)N
Complexity
134
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-4.5
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CatalogNumber: AB09467
ChemicalName: D-Aspartic acid alpha-amide
CasNumber: 200260-37-3
MolecularFormula: C4H8N2O3
MolecularWeight: 132.1179
MdlNumber: MFCD00237411
Smiles: OC(=O)C[C@H](C(=O)N)N
Complexity: 134
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -4.5
CatalogNumber:
AB09467
ChemicalName:
D-Aspartic acid alpha-amide
CasNumber:
200260-37-3
MolecularFormula:
C4H8N2O3
MolecularWeight:
132.1179
MdlNumber:
MFCD00237411
Smiles:
OC(=O)C[C@H](C(=O)N)N
Complexity:
134
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C[C@@H](N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1)C(=O)O
Complexity: 717
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C[C@@H](N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1)C(=O)O
Complexity:
717
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5
CatalogNumber: AB09469
ChemicalName: Ethyl 2-(3,5-dichlorophenyl)acetate
CasNumber: 200214-60-4
MolecularFormula: C10H10Cl2O2
MolecularWeight: 233.0912
MdlNumber: MFCD23098648
Smiles: CCOC(=O)Cc1cc(Cl)cc(c1)Cl
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AB09469
ChemicalName:
Ethyl 2-(3,5-dichlorophenyl)acetate
CasNumber:
200214-60-4
MolecularFormula:
C10H10Cl2O2
MolecularWeight:
233.0912
MdlNumber:
MFCD23098648
Smiles:
CCOC(=O)Cc1cc(Cl)cc(c1)Cl
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1ccc2c(c1)[nH]cc2)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccc2c(c1)[nH]cc2)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__