AA76241
15099-85-1 | 3-Amino-4-phenylbutyric acid
Manufacturer: A2B Chem
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CatalogNumber
AA76241
ChemicalName
3-Amino-4-phenylbutyric acid
CasNumber
15099-85-1
MolecularFormula
C10H13NO2
MolecularWeight
179.2157
MdlNumber
MFCD02090626
Smiles
NC(Cc1ccccc1)CC(=O)O
NscNumber
127002
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
-1.5
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CatalogNumber: AA76241
ChemicalName: 3-Amino-4-phenylbutyric acid
CasNumber: 15099-85-1
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD02090626
Smiles: NC(Cc1ccccc1)CC(=O)O
NscNumber: 127002
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.5
CatalogNumber:
AA76241
ChemicalName:
3-Amino-4-phenylbutyric acid
CasNumber:
15099-85-1
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD02090626
Smiles:
NC(Cc1ccccc1)CC(=O)O
NscNumber:
127002
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[Al](F)F.O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[Al](F)F.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA76243
ChemicalName: Boc-Lys(Boc)-OH DCHA
CasNumber: 15098-69-8
MolecularFormula: C28H53N3O6
MolecularWeight: 527.7369
MdlNumber: MFCD00038892
Smiles: C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 553
Covalently-bondedUnitCount: 2
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 13
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AA76243
ChemicalName:
Boc-Lys(Boc)-OH DCHA
CasNumber:
15098-69-8
MolecularFormula:
C28H53N3O6
MolecularWeight:
527.7369
MdlNumber:
MFCD00038892
Smiles:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
553
Covalently-bondedUnitCount:
2
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
13
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1csc(c1)C1=Cc2c(C1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1csc(c1)C1=Cc2c(C1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__