AB50130
336818-78-1 | (2S,4R)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50130
ChemicalName
(2S,4R)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
CasNumber
336818-78-1
MolecularFormula
C16H21NO4
MolecularWeight
291.3422
MdlNumber
MFCD06656435
Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)c1ccccc1)OC(C)(C)C
Complexity
396
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AB50130
ChemicalName: (2S,4R)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
CasNumber: 336818-78-1
MolecularFormula: C16H21NO4
MolecularWeight: 291.3422
MdlNumber: MFCD06656435
Smiles: O=C(N1C[C@H](C[C@H]1C(=O)O)c1ccccc1)OC(C)(C)C
Complexity: 396
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB50130
ChemicalName:
(2S,4R)-Boc-4-phenyl-pyrrolidine-2-carboxylic acid
CasNumber:
336818-78-1
MolecularFormula:
C16H21NO4
MolecularWeight:
291.3422
MdlNumber:
MFCD06656435
Smiles:
O=C(N1C[C@H](C[C@H]1C(=O)O)c1ccccc1)OC(C)(C)C
Complexity:
396
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnc2c(c1)cccc2Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnc2c(c1)cccc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50132
ChemicalName: 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
CasNumber: 3470-53-9
MolecularFormula: C10H11NO
MolecularWeight: 161.2004
MdlNumber: MFCD00099462
Smiles: Nc1ccc2c(c1)CCCC2=O
Complexity: 190
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB50132
ChemicalName:
6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
CasNumber:
3470-53-9
MolecularFormula:
C10H11NO
MolecularWeight:
161.2004
MdlNumber:
MFCD00099462
Smiles:
Nc1ccc2c(c1)CCCC2=O
Complexity:
190
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB50133
ChemicalName: 4-Bromo-2-methylbutan-2-ol
CasNumber: 35979-69-2
MolecularFormula: C5H11BrO
MolecularWeight: 167.0442
MdlNumber: MFCD20483824
Smiles: BrCCC(O)(C)C
Complexity: 52
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB50133
ChemicalName:
4-Bromo-2-methylbutan-2-ol
CasNumber:
35979-69-2
MolecularFormula:
C5H11BrO
MolecularWeight:
167.0442
MdlNumber:
MFCD20483824
Smiles:
BrCCC(O)(C)C
Complexity:
52
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3