AA96207
18085-38-6 | 1-tert-Butyl-2-azetidinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA96207
ChemicalName
1-tert-Butyl-2-azetidinecarboxylic acid
CasNumber
18085-38-6
MolecularFormula
C8H15NO2
MolecularWeight
157.2102
MdlNumber
MFCD03283307
Smiles
OC(=O)C1CCN1C(C)(C)C
NscNumber
167182
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-1.3
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CatalogNumber: AA96207
ChemicalName: 1-tert-Butyl-2-azetidinecarboxylic acid
CasNumber: 18085-38-6
MolecularFormula: C8H15NO2
MolecularWeight: 157.2102
MdlNumber: MFCD03283307
Smiles: OC(=O)C1CCN1C(C)(C)C
NscNumber: 167182
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.3
CatalogNumber:
AA96207
ChemicalName:
1-tert-Butyl-2-azetidinecarboxylic acid
CasNumber:
18085-38-6
MolecularFormula:
C8H15NO2
MolecularWeight:
157.2102
MdlNumber:
MFCD03283307
Smiles:
OC(=O)C1CCN1C(C)(C)C
NscNumber:
167182
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.3
CatalogNumber: AA96208
ChemicalName: Methyl 1-benzylazetidine-2-carboxylate
CasNumber: 18085-37-5
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD06657098
Smiles: COC(=O)C1CCN1Cc1ccccc1
NscNumber: __
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AA96208
ChemicalName:
Methyl 1-benzylazetidine-2-carboxylate
CasNumber:
18085-37-5
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD06657098
Smiles:
COC(=O)C1CCN1Cc1ccccc1
NscNumber:
__
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CCN1C1CCCCC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CCN1C1CCCCC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(OC(=O)C)COC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(OC(=O)C)COC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__