AF68663
361441-97-6 | N-Boc-L-adamantylglycine
Manufacturer: A2B Chem
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CatalogNumber
AF68663
ChemicalName
N-Boc-L-adamantylglycine
CasNumber
361441-97-6
MolecularFormula
C17H27NO4
MolecularWeight
309.4006
MdlNumber
MFCD09952623
Smiles
O=C(OC(C)(C)C)N[C@@H]([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C(=O)O
Complexity
438
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
3.5
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CatalogNumber: AF68663
ChemicalName: N-Boc-L-adamantylglycine
CasNumber: 361441-97-6
MolecularFormula: C17H27NO4
MolecularWeight: 309.4006
MdlNumber: MFCD09952623
Smiles: O=C(OC(C)(C)C)N[C@@H]([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C(=O)O
Complexity: 438
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AF68663
ChemicalName:
N-Boc-L-adamantylglycine
CasNumber:
361441-97-6
MolecularFormula:
C17H27NO4
MolecularWeight:
309.4006
MdlNumber:
MFCD09952623
Smiles:
O=C(OC(C)(C)C)N[C@@H]([C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C(=O)O
Complexity:
438
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CC(c1ccc(cc1)C(O)(C)C)C
Complexity: __
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DefinedAtomStereocenterCount: __
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Smiles:
CC(c1ccc(cc1)C(O)(C)C)C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Oc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity: __
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DefinedAtomStereocenterCount: __
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MolecularWeight:
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Smiles:
Oc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C1OC(=O)C(C1)C(C)C)N=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C1OC(=O)C(C1)C(C)C)N=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__