AE08400
112695-98-4 | Boc-beta-t-butyl-d-alanine
Manufacturer: A2B Chem
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CatalogNumber
AE08400
ChemicalName
Boc-beta-t-butyl-d-alanine
CasNumber
112695-98-4
MolecularFormula
C12H23NO4
MolecularWeight
245.3153
MdlNumber
MFCD00798621
Smiles
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CC(C)(C)C
Complexity
286
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.6
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CatalogNumber: AE08400
ChemicalName: Boc-beta-t-butyl-d-alanine
CasNumber: 112695-98-4
MolecularFormula: C12H23NO4
MolecularWeight: 245.3153
MdlNumber: MFCD00798621
Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)O)CC(C)(C)C
Complexity: 286
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AE08400
ChemicalName:
Boc-beta-t-butyl-d-alanine
CasNumber:
112695-98-4
MolecularFormula:
C12H23NO4
MolecularWeight:
245.3153
MdlNumber:
MFCD00798621
Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CC(C)(C)C
Complexity:
286
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1C=CC2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1C=CC2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)CCC(=O)N(O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)CCC(=O)N(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__