AB74989
76944-95-1 | L-(-)-3-N-Boc-amino-2-azepanone
Manufacturer: A2B Chem
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CatalogNumber
AB74989
ChemicalName
L-(-)-3-N-Boc-amino-2-azepanone
CasNumber
76944-95-1
MolecularFormula
C11H20N2O3
MolecularWeight
228.2881
MdlNumber
MFCD00798169
Smiles
O=C(OC(C)(C)C)N[C@H]1CCCCNC1=O
Complexity
271
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AB74989
ChemicalName: L-(-)-3-N-Boc-amino-2-azepanone
CasNumber: 76944-95-1
MolecularFormula: C11H20N2O3
MolecularWeight: 228.2881
MdlNumber: MFCD00798169
Smiles: O=C(OC(C)(C)C)N[C@H]1CCCCNC1=O
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB74989
ChemicalName:
L-(-)-3-N-Boc-amino-2-azepanone
CasNumber:
76944-95-1
MolecularFormula:
C11H20N2O3
MolecularWeight:
228.2881
MdlNumber:
MFCD00798169
Smiles:
O=C(OC(C)(C)C)N[C@H]1CCCCNC1=O
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB74990
ChemicalName: L-(-)-Malic acid dimethyl ester
CasNumber: 617-55-0
MolecularFormula: C6H10O5
MolecularWeight: 162.1406
MdlNumber: MFCD00066215
Smiles: COC(=O)C[C@@H](C(=O)OC)O
Complexity: 153
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.7
CatalogNumber:
AB74990
ChemicalName:
L-(-)-Malic acid dimethyl ester
CasNumber:
617-55-0
MolecularFormula:
C6H10O5
MolecularWeight:
162.1406
MdlNumber:
MFCD00066215
Smiles:
COC(=O)C[C@@H](C(=O)OC)O
Complexity:
153
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.7
CatalogNumber: AB74991
ChemicalName: (1R)-(-)-Camphor-10-sulfonic acid
CasNumber: 35963-20-3
MolecularFormula: C10H16O4S
MolecularWeight: 232.2966
MdlNumber: MFCD00064158
Smiles: O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C
Complexity: 404
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB74991
ChemicalName:
(1R)-(-)-Camphor-10-sulfonic acid
CasNumber:
35963-20-3
MolecularFormula:
C10H16O4S
MolecularWeight:
232.2966
MdlNumber:
MFCD00064158
Smiles:
O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C
Complexity:
404
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__