1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione

C11H18N2O5 — CID 68667729

IUPAC1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione
SMILESCOC1(C)CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C11H18N2O5/c1-11(17-2)6-13(10(16)12-9(11)15)8-4-3-7(5-14)18-8/h7-8,14H,3-6H2,1-2H3,(H,12,15,16)/t7-,8+,11?/m0/s1
InChIKeyCOCIPIFYLGPJNB-DLLGPJQISA-N
MW258.27 g/mol
LogP-0.56
Rot. Bonds3

About 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione

1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 68667729) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione
PubChem CID68667729
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione
SMILESCOC1(C)CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O
InChIInChI=1S/C11H18N2O5/c1-11(17-2)6-13(10(16)12-9(11)15)8-4-3-7(5-14)18-8/h7-8,14H,3-6H2,1-2H3,(H,12,15,16)/t7-,8+,11?/m0/s1
InChIKeyCOCIPIFYLGPJNB-DLLGPJQISA-N
XLogP-0.56
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione (CID 68667729) is 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione is COC1(C)CN([C@H]2CC[C@@H](CO)O2)C(=O)NC1=O.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is COCIPIFYLGPJNB-DLLGPJQISA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(17-2)6-13(10(16)12-9(11)15)8-4-3-7(5-14)18-8/h7-8,14H,3-6H2,1-2H3,(H,12,15,16)/t7-,8+,11?/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione?
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 258.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methoxy-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 68667729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).