AA21951
1159138-98-3 | (S)-3-(Benzyloxycarbonylamino)-4,4-dimethylpentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA21951
ChemicalName
(S)-3-(Benzyloxycarbonylamino)-4,4-dimethylpentanoic acid
CasNumber
1159138-98-3
MolecularFormula
C15H21NO4
MolecularWeight
279.3315
MdlNumber
MFCD18711404
Smiles
O=C(N[C@H](C(C)(C)C)CC(=O)O)OCc1ccccc1
Complexity
329
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.7
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CatalogNumber: AA21951
ChemicalName: (S)-3-(Benzyloxycarbonylamino)-4,4-dimethylpentanoic acid
CasNumber: 1159138-98-3
MolecularFormula: C15H21NO4
MolecularWeight: 279.3315
MdlNumber: MFCD18711404
Smiles: O=C(N[C@H](C(C)(C)C)CC(=O)O)OCc1ccccc1
Complexity: 329
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.7
CatalogNumber:
AA21951
ChemicalName:
(S)-3-(Benzyloxycarbonylamino)-4,4-dimethylpentanoic acid
CasNumber:
1159138-98-3
MolecularFormula:
C15H21NO4
MolecularWeight:
279.3315
MdlNumber:
MFCD18711404
Smiles:
O=C(N[C@H](C(C)(C)C)CC(=O)O)OCc1ccccc1
Complexity:
329
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CO)N)CO)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CO)N)CO)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Br[Mg]c1ccc(c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Br[Mg]c1ccc(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA21960
ChemicalName: Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
CasNumber: 115913-32-1
MolecularFormula: C9H12O4
MolecularWeight: 184.18918000000002
MdlNumber: MFCD23106317
Smiles: COC(=O)C12CC(C1)(C2)C(=O)OC
Complexity: 227
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AA21960
ChemicalName:
Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
CasNumber:
115913-32-1
MolecularFormula:
C9H12O4
MolecularWeight:
184.18918000000002
MdlNumber:
MFCD23106317
Smiles:
COC(=O)C12CC(C1)(C2)C(=O)OC
Complexity:
227
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.2