AA96719
181289-15-6 | 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA96719
ChemicalName
3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
CasNumber
181289-15-6
MolecularFormula
C9H17NO3
MolecularWeight
187.2362
MdlNumber
MFCD08457698
Smiles
CC(CC(CC(=O)O)CC(=O)N)C
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AA96719
ChemicalName: 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
CasNumber: 181289-15-6
MolecularFormula: C9H17NO3
MolecularWeight: 187.2362
MdlNumber: MFCD08457698
Smiles: CC(CC(CC(=O)O)CC(=O)N)C
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AA96719
ChemicalName:
3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
CasNumber:
181289-15-6
MolecularFormula:
C9H17NO3
MolecularWeight:
187.2362
MdlNumber:
MFCD08457698
Smiles:
CC(CC(CC(=O)O)CC(=O)N)C
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)CC(C(=O)[O-])CC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)CC(C(=O)[O-])CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1sc2c(c1N)c(C)ccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1sc2c(c1N)c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1nc(C#N)c(nc1CC)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1nc(C#N)c(nc1CC)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__