AA88645
166194-68-9 | 3-tert-Butoxycarbonylamino-3-pyridin-3-yl-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88645
ChemicalName
3-tert-Butoxycarbonylamino-3-pyridin-3-yl-propionic acid
CasNumber
166194-68-9
MolecularFormula
C13H18N2O4
MolecularWeight
266.293
MdlNumber
MFCD02090685
Smiles
OC(=O)CC(c1cccnc1)NC(=O)OC(C)(C)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AA88645
ChemicalName: 3-tert-Butoxycarbonylamino-3-pyridin-3-yl-propionic acid
CasNumber: 166194-68-9
MolecularFormula: C13H18N2O4
MolecularWeight: 266.293
MdlNumber: MFCD02090685
Smiles: OC(=O)CC(c1cccnc1)NC(=O)OC(C)(C)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AA88645
ChemicalName:
3-tert-Butoxycarbonylamino-3-pyridin-3-yl-propionic acid
CasNumber:
166194-68-9
MolecularFormula:
C13H18N2O4
MolecularWeight:
266.293
MdlNumber:
MFCD02090685
Smiles:
OC(=O)CC(c1cccnc1)NC(=O)OC(C)(C)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COc1ccccc1C(=O)C#Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COc1ccccc1C(=O)C#Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: c1ccc(cc1)C1NN=C(C1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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MolecularFormula:
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Smiles:
c1ccc(cc1)C1NN=C(C1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(C(C(=O)c1ccccc1)(Br)Br)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C(=O)c1ccccc1)(Br)Br)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__