AI04836
1001354-55-7 | 1-(tert-Butoxycarbonyl)-2,4,4-trimethylpyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI04836
ChemicalName
1-(tert-Butoxycarbonyl)-2,4,4-trimethylpyrrolidine-2-carboxylic acid
CasNumber
1001354-55-7
MolecularFormula
C13H23NO4
MolecularWeight
257.326
MdlNumber
MFCD28119161
Smiles
O=C(N1CC(CC1(C)C(=O)O)(C)C)OC(C)(C)C
Complexity
370
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AI04836
ChemicalName: 1-(tert-Butoxycarbonyl)-2,4,4-trimethylpyrrolidine-2-carboxylic acid
CasNumber: 1001354-55-7
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD28119161
Smiles: O=C(N1CC(CC1(C)C(=O)O)(C)C)OC(C)(C)C
Complexity: 370
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AI04836
ChemicalName:
1-(tert-Butoxycarbonyl)-2,4,4-trimethylpyrrolidine-2-carboxylic acid
CasNumber:
1001354-55-7
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD28119161
Smiles:
O=C(N1CC(CC1(C)C(=O)O)(C)C)OC(C)(C)C
Complexity:
370
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(/C=C/C(=O)c1cn(nc1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(/C=C/C(=O)c1cn(nc1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H](C3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1C([C@H]2O)O)[C@H](O)C5O)CO)[C@H](O)[C@@H]4O)CO)[C@@H]([C@@H]3O)O)CO
Complexity: 1250
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -12.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H](C3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1C([C@H]2O)O)[C@H](O)C5O)CO)[C@H](O)[C@@H]4O)CO)[C@@H]([C@@H]3O)O)CO
Complexity:
1250
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-12.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__