[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea

C8H16N2O4 — CID 59059665

IUPAC[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
SMILESCOC[C@H]1O[C@@H](NC(N)=O)C[C@H]1OC
InChIInChI=1S/C8H16N2O4/c1-12-4-6-5(13-2)3-7(14-6)10-8(9)11/h5-7H,3-4H2,1-2H3,(H3,9,10,11)/t5-,6-,7-/m1/s1
InChIKeyKHVPMFLYFLUOOH-FSDSQADBSA-N
MW204.23 g/mol
LogP-0.57
Rot. Bonds4

About [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea

[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea (PubChem CID 59059665) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea.

Molecular Properties

Compound Name[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
PubChem CID59059665
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
SMILESCOC[C@H]1O[C@@H](NC(N)=O)C[C@H]1OC
InChIInChI=1S/C8H16N2O4/c1-12-4-6-5(13-2)3-7(14-6)10-8(9)11/h5-7H,3-4H2,1-2H3,(H3,9,10,11)/t5-,6-,7-/m1/s1
InChIKeyKHVPMFLYFLUOOH-FSDSQADBSA-N
XLogP-0.57
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea?
The IUPAC name of [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea (CID 59059665) is [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea.
What is the SMILES notation for [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea?
The canonical SMILES for [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea is COC[C@H]1O[C@@H](NC(N)=O)C[C@H]1OC.
What is the InChIKey of [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea?
The InChIKey is KHVPMFLYFLUOOH-FSDSQADBSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-12-4-6-5(13-2)3-7(14-6)10-8(9)11/h5-7H,3-4H2,1-2H3,(H3,9,10,11)/t5-,6-,7-/m1/s1.
What are the key properties of [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea?
[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea has a molecular weight of 204.23 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea is sourced from PubChem (CID 59059665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).