6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid

C20H37N2O5P — CID 11316009

IUPAC6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid
SMILESCCP(=O)(O)CCCCCC[C@H]1C(=O)NC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C20H37N2O5P/c1-2-28(26,27)15-9-4-3-8-12-17-19(24)21-20(25)22(17)14-13-18(23)16-10-6-5-7-11-16/h16-18,23H,2-15H2,1H3,(H,26,27)(H,21,24,25)/t17-,18?/m0/s1
InChIKeyFPGSHIWUPCMBMZ-ZENAZSQFSA-N
MW416.50 g/mol
LogP3.48
Rot. Bonds12

About 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid

6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid (PubChem CID 11316009) has the molecular formula C20H37N2O5P and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid.

Molecular Properties

Compound Name6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid
PubChem CID11316009
Molecular FormulaC20H37N2O5P
Molecular Weight416.50 g/mol
Exact Mass416.24
IUPAC Name6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid
SMILESCCP(=O)(O)CCCCCC[C@H]1C(=O)NC(=O)N1CCC(O)C1CCCCC1
InChIInChI=1S/C20H37N2O5P/c1-2-28(26,27)15-9-4-3-8-12-17-19(24)21-20(25)22(17)14-13-18(23)16-10-6-5-7-11-16/h16-18,23H,2-15H2,1H3,(H,26,27)(H,21,24,25)/t17-,18?/m0/s1
InChIKeyFPGSHIWUPCMBMZ-ZENAZSQFSA-N
XLogP3.48
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid?
The IUPAC name of 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid (CID 11316009) is 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid.
What is the SMILES notation for 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid?
The canonical SMILES for 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid is CCP(=O)(O)CCCCCC[C@H]1C(=O)NC(=O)N1CCC(O)C1CCCCC1.
What is the InChIKey of 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid?
The InChIKey is FPGSHIWUPCMBMZ-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H37N2O5P/c1-2-28(26,27)15-9-4-3-8-12-17-19(24)21-20(25)22(17)14-13-18(23)16-10-6-5-7-11-16/h16-18,23H,2-15H2,1H3,(H,26,27)(H,21,24,25)/t17-,18?/m0/s1.
What are the key properties of 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid?
6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid has a molecular weight of 416.50 g/mol, XLogP of 3.48, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hexyl-ethylphosphinic acid is sourced from PubChem (CID 11316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).