[(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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Related Compounds

[(2R,5R)-5-(carbamoylamino)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 174069338
(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
CID 163887966
CID 153446261
CID 153446261
[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate
CID 58492842
2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide
CID 58679026
(2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine
CID 162042984
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
CID 158919548
CID 158919548
CID 157325949
CID 157325949
N-[(2S,3R,4S,5S,6S)-5-hydroxy-2,4-dimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11891134

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).