AB52958
661458-35-1 | 1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB52958
ChemicalName
1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid
CasNumber
661458-35-1
MolecularFormula
C11H17NO5
MolecularWeight
243.2564
MdlNumber
MFCD01861764
Smiles
O=C1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AB52958
ChemicalName: 1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid
CasNumber: 661458-35-1
MolecularFormula: C11H17NO5
MolecularWeight: 243.2564
MdlNumber: MFCD01861764
Smiles: O=C1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AB52958
ChemicalName:
1-(tert-Butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid
CasNumber:
661458-35-1
MolecularFormula:
C11H17NO5
MolecularWeight:
243.2564
MdlNumber:
MFCD01861764
Smiles:
O=C1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: AB52959
ChemicalName: 5-Fluoro-2-nitrobenzoyl chloride
CasNumber: 394-02-5
MolecularFormula: C7H3ClFNO3
MolecularWeight: 203.555
MdlNumber: MFCD11500776
Smiles: Fc1ccc(c(c1)C(=O)Cl)[N+](=O)[O-]
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AB52959
ChemicalName:
5-Fluoro-2-nitrobenzoyl chloride
CasNumber:
394-02-5
MolecularFormula:
C7H3ClFNO3
MolecularWeight:
203.555
MdlNumber:
MFCD11500776
Smiles:
Fc1ccc(c(c1)C(=O)Cl)[N+](=O)[O-]
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(F)c(c(c1)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(F)c(c(c1)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB52961
ChemicalName: N-Methyl-D-phenylalanine
CasNumber: 56564-52-4
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD00069560
Smiles: CN[C@@H](C(=O)O)Cc1ccccc1
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: -1.5
CatalogNumber:
AB52961
ChemicalName:
N-Methyl-D-phenylalanine
CasNumber:
56564-52-4
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD00069560
Smiles:
CN[C@@H](C(=O)O)Cc1ccccc1
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.5