AF22345
143617-95-2 | (1S,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF22345
ChemicalName
(1S,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate
CasNumber
143617-95-2
MolecularFormula
C13H23NO4
MolecularWeight
257.326
MdlNumber
MFCD27992152
Smiles
CCOC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
Complexity
309
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.6
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CatalogNumber: AF22345
ChemicalName: (1S,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate
CasNumber: 143617-95-2
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD27992152
Smiles: CCOC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AF22345
ChemicalName:
(1S,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate
CasNumber:
143617-95-2
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD27992152
Smiles:
CCOC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.6
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Smiles: OC1CNCC1C
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Smiles:
OC1CNCC1C
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Smiles: O=C(c1ccccc1P(c1ccccc1)c1ccccc1)N[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
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Smiles:
O=C(c1ccccc1P(c1ccccc1)c1ccccc1)N[C@H]([C@H](c1ccccc1)NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: Fc1nc(NCCCNc2nc(F)nc(n2)Nc2ccc(c(c2)NC(=O)N)/N=N/c2cc3c(cc2S(=O)(=O)O)cc(cc3S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1ccc(c(c1)NC(=O)N)/N=N/c1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O.[Na+]
Complexity: __
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Smiles:
Fc1nc(NCCCNc2nc(F)nc(n2)Nc2ccc(c(c2)NC(=O)N)/N=N/c2cc3c(cc2S(=O)(=O)O)cc(cc3S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1ccc(c(c1)NC(=O)N)/N=N/c1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__