AA95412
180181-93-5 | 3-N-Fmoc-3-phenylpropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA95412
ChemicalName
3-N-Fmoc-3-phenylpropionic acid
CasNumber
180181-93-5
MolecularFormula
C24H21NO4
MolecularWeight
387.4278
MdlNumber
MFCD01863192
Smiles
OC(=O)CC(c1ccccc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity
551
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
4.1
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CatalogNumber: AA95412
ChemicalName: 3-N-Fmoc-3-phenylpropionic acid
CasNumber: 180181-93-5
MolecularFormula: C24H21NO4
MolecularWeight: 387.4278
MdlNumber: MFCD01863192
Smiles: OC(=O)CC(c1ccccc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 551
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.1
CatalogNumber:
AA95412
ChemicalName:
3-N-Fmoc-3-phenylpropionic acid
CasNumber:
180181-93-5
MolecularFormula:
C24H21NO4
MolecularWeight:
387.4278
MdlNumber:
MFCD01863192
Smiles:
OC(=O)CC(c1ccccc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
551
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1CCN(CC1)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 520
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1CCN(CC1)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
520
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: AA95414
ChemicalName: 3-Boc-amino-2,2-dimethyl-propionic acid
CasNumber: 180181-02-6
MolecularFormula: C10H19NO4
MolecularWeight: 217.26216
MdlNumber: MFCD09952625
Smiles: O=C(OC(C)(C)C)NCC(C(=O)O)(C)C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AA95414
ChemicalName:
3-Boc-amino-2,2-dimethyl-propionic acid
CasNumber:
180181-02-6
MolecularFormula:
C10H19NO4
MolecularWeight:
217.26216
MdlNumber:
MFCD09952625
Smiles:
O=C(OC(C)(C)C)NCC(C(=O)O)(C)C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1C(=O)C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1C(=O)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__