AB76950
59-53-0 | 2-Acetamido-3-mercapto-3-methylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB76950
ChemicalName
2-Acetamido-3-mercapto-3-methylbutanoic acid
CasNumber
59-53-0
MolecularFormula
C7H13NO3S
MolecularWeight
191.248
MdlNumber
MFCD00004855
Smiles
CC(=O)NC(C(S)(C)C)C(=O)O
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AB76950
ChemicalName: 2-Acetamido-3-mercapto-3-methylbutanoic acid
CasNumber: 59-53-0
MolecularFormula: C7H13NO3S
MolecularWeight: 191.248
MdlNumber: MFCD00004855
Smiles: CC(=O)NC(C(S)(C)C)C(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AB76950
ChemicalName:
2-Acetamido-3-mercapto-3-methylbutanoic acid
CasNumber:
59-53-0
MolecularFormula:
C7H13NO3S
MolecularWeight:
191.248
MdlNumber:
MFCD00004855
Smiles:
CC(=O)NC(C(S)(C)C)C(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity: 235
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](O)[C@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity:
235
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCC=CC(C(NC(=O)C)CO)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCC=CC(C(NC(=O)C)CO)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__