AI62244
930596-35-3 | Methyl cis-(+/-)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI62244
ChemicalName
Methyl cis-(+/-)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
CasNumber
930596-35-3
MolecularFormula
C13H23NO4
MolecularWeight
257.326
MdlNumber
MFCD29035428
Smiles
COC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)OC(C)(C)C
Complexity
309
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.1
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CatalogNumber: AI62244
ChemicalName: Methyl cis-(+/-)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
CasNumber: 930596-35-3
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD29035428
Smiles: COC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)OC(C)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AI62244
ChemicalName:
Methyl cis-(+/-)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate
CasNumber:
930596-35-3
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD29035428
Smiles:
COC(=O)[C@@H]1CCC[C@@H](C1)NC(=O)OC(C)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
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Smiles: CCOC(=O)C1CCN(CC1)C1CCNCC1.Cl.Cl
Complexity: __
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Smiles:
CCOC(=O)C1CCN(CC1)C1CCNCC1.Cl.Cl
Complexity:
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Smiles: O=C(c1ccc(cc1)C(F)(F)F)Nc1ccccc1C
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Smiles:
O=C(c1ccc(cc1)C(F)(F)F)Nc1ccccc1C
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DefinedAtomStereocenterCount:
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HydrogenBondDonorCount:
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__
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Smiles: N#Cc1cccc(c1)S(=O)(=O)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cccc(c1)S(=O)(=O)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__