AA22148
1159738-31-4 | 3-(Benzylamino)oxetane-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA22148
ChemicalName
3-(Benzylamino)oxetane-3-carboxylic acid
CasNumber
1159738-31-4
MolecularFormula
C11H13NO3
MolecularWeight
207.2258
MdlNumber
MFCD22370042
Smiles
OC(=O)C1(NCc2ccccc2)COC1
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-1.9
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CatalogNumber: AA22148
ChemicalName: 3-(Benzylamino)oxetane-3-carboxylic acid
CasNumber: 1159738-31-4
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD22370042
Smiles: OC(=O)C1(NCc2ccccc2)COC1
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1.9
CatalogNumber:
AA22148
ChemicalName:
3-(Benzylamino)oxetane-3-carboxylic acid
CasNumber:
1159738-31-4
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD22370042
Smiles:
OC(=O)C1(NCc2ccccc2)COC1
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1.9
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Smiles: O=C(NC1(COC1)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(NC1(COC1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: N#CC1(CC1)NC(=O)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
N#CC1(CC1)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC1(CC1)c1ccco1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(CC1)c1ccco1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__