AA01163
1001353-87-2 | (S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA01163
ChemicalName
(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
CasNumber
1001353-87-2
MolecularFormula
C12H21NO4
MolecularWeight
243.2994
MdlNumber
MFCD11040193
Smiles
OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA01163
ChemicalName: (S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
CasNumber: 1001353-87-2
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD11040193
Smiles: OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA01163
ChemicalName:
(S)-1-(tert-Butoxycarbonyl)-4,4-dimethylpyrrolidine-2-carboxylic acid
CasNumber:
1001353-87-2
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD11040193
Smiles:
OC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA01165
ChemicalName: 4-Amino-2-fluoro-5-methoxybenzoic acid
CasNumber: 1001346-91-3
MolecularFormula: C8H8FNO3
MolecularWeight: 185.1524
MdlNumber: MFCD11849929
Smiles: COc1cc(C(=O)O)c(cc1N)F
Complexity: 200
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AA01165
ChemicalName:
4-Amino-2-fluoro-5-methoxybenzoic acid
CasNumber:
1001346-91-3
MolecularFormula:
C8H8FNO3
MolecularWeight:
185.1524
MdlNumber:
MFCD11849929
Smiles:
COc1cc(C(=O)O)c(cc1N)F
Complexity:
200
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC1(CC1)CN1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC1(CC1)CN1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__