(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione

C14H25N2O5P — CID 11012998

IUPAC(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione
SMILESCCOP(=O)(C[C@H]1CCCC[C@H]1[C@H]1NC(=O)NC1=O)OCC
InChIInChI=1S/C14H25N2O5P/c1-3-20-22(19,21-4-2)9-10-7-5-6-8-11(10)12-13(17)16-14(18)15-12/h10-12H,3-9H2,1-2H3,(H2,15,16,17,18)/t10-,11-,12-/m1/s1
InChIKeyBEYZRWKXNYPEPL-IJLUTSLNSA-N
MW332.34 g/mol
LogP2.27
Rot. Bonds7

About (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione

(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione (PubChem CID 11012998) has the molecular formula C14H25N2O5P and a molecular weight of 332.34 g/mol. Its IUPAC name is (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione
PubChem CID11012998
Molecular FormulaC14H25N2O5P
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Name(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione
SMILESCCOP(=O)(C[C@H]1CCCC[C@H]1[C@H]1NC(=O)NC1=O)OCC
InChIInChI=1S/C14H25N2O5P/c1-3-20-22(19,21-4-2)9-10-7-5-6-8-11(10)12-13(17)16-14(18)15-12/h10-12H,3-9H2,1-2H3,(H2,15,16,17,18)/t10-,11-,12-/m1/s1
InChIKeyBEYZRWKXNYPEPL-IJLUTSLNSA-N
XLogP2.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione
CID 92843738
2-[2-(diethoxyphosphorylmethyl)cyclopentyl]acetonitrile
CID 54096254
(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
CID 145422347
5-(4-ethylcyclohexyl)imidazolidine-2,4-dione;propane
CID 143588727
1-(diethoxyphosphorylmethyl)-4-methylcyclohexane
CID 22976302
2-diethoxyphosphorylethoxymethylcyclopentane
CID 174164242
dimethyl 4-(diethoxyphosphorylmethyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 614300
(4R,5R)-4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 24884185
[(1S,2S,3R)-2-diethoxyphosphoryl-3-(diethoxyphosphorylmethyl)cyclopentyl]benzene
CID 101053260
5-ethoxy-1,3-diazinane-2,4,6-trione
CID 165356464
[ethoxy(ethyl)phosphoryl]oxymethylcyclopropane
CID 87083673
2-(diethoxyphosphorylmethyl)-1-propylpyrrolidine
CID 132991854

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione (CID 11012998) is (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione is CCOP(=O)(C[C@H]1CCCC[C@H]1[C@H]1NC(=O)NC1=O)OCC.
What is the InChIKey of (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione?
The InChIKey is BEYZRWKXNYPEPL-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H25N2O5P/c1-3-20-22(19,21-4-2)9-10-7-5-6-8-11(10)12-13(17)16-14(18)15-12/h10-12H,3-9H2,1-2H3,(H2,15,16,17,18)/t10-,11-,12-/m1/s1.
What are the key properties of (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione?
(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione has a molecular weight of 332.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11012998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).