6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C24H36FNO5 — CID 19037457

IUPAC6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CC(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C24H36FNO5/c1-24(2,3)31-23(30)26-20(14-16-7-5-4-6-8-16)21(27)15-18(22(28)29)13-17-9-11-19(25)12-10-17/h9-12,16,18,20-21,27H,4-8,13-15H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyZLOSGVMUBKJLBA-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.68
Rot. Bonds9

About 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 19037457) has the molecular formula C24H36FNO5 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID19037457
Molecular FormulaC24H36FNO5
Molecular Weight437.55 g/mol
Exact Mass437.26
IUPAC Name6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CC(Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C24H36FNO5/c1-24(2,3)31-23(30)26-20(14-16-7-5-4-6-8-16)21(27)15-18(22(28)29)13-17-9-11-19(25)12-10-17/h9-12,16,18,20-21,27H,4-8,13-15H2,1-3H3,(H,26,30)(H,28,29)
InChIKeyZLOSGVMUBKJLBA-UHFFFAOYSA-N
XLogP4.68
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 19037457) is 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(O)CC(Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is ZLOSGVMUBKJLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FNO5/c1-24(2,3)31-23(30)26-20(14-16-7-5-4-6-8-16)21(27)15-18(22(28)29)13-17-9-11-19(25)12-10-17/h9-12,16,18,20-21,27H,4-8,13-15H2,1-3H3,(H,26,30)(H,28,29).
What are the key properties of 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 437.55 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 19037457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).