AE27613
106860-17-7 | Methyl (2S)-2-amino-4-phenylbutanoate
Manufacturer: A2B Chem
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CatalogNumber
AE27613
ChemicalName
Methyl (2S)-2-amino-4-phenylbutanoate
CasNumber
106860-17-7
MolecularFormula
C11H15NO2
MolecularWeight
193.2423
MdlNumber
MFCD20690706
Smiles
COC(=O)[C@H](CCc1ccccc1)N
Complexity
176
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AE27613
ChemicalName: Methyl (2S)-2-amino-4-phenylbutanoate
CasNumber: 106860-17-7
MolecularFormula: C11H15NO2
MolecularWeight: 193.2423
MdlNumber: MFCD20690706
Smiles: COC(=O)[C@H](CCc1ccccc1)N
Complexity: 176
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AE27613
ChemicalName:
Methyl (2S)-2-amino-4-phenylbutanoate
CasNumber:
106860-17-7
MolecularFormula:
C11H15NO2
MolecularWeight:
193.2423
MdlNumber:
MFCD20690706
Smiles:
COC(=O)[C@H](CCc1ccccc1)N
Complexity:
176
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N[13c]1[13cH][13cH][13cH]c2c1c(=O)[nH][nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N[13c]1[13cH][13cH][13cH]c2c1c(=O)[nH][nH]c2=O
Complexity:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)\C)c(O)c2c(c1C)COC2=O
Complexity: __
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__
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Smiles:
COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)\C)c(O)c2c(c1C)COC2=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN1C[C@H](CO[Si](C(C)(C)C)(C)C)C=C2C1Cc1c[nH]c3c1c2ccc3
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1C[C@H](CO[Si](C(C)(C)C)(C)C)C=C2C1Cc1c[nH]c3c1c2ccc3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__