1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea

C12H24N2O6 — CID 22816410

IUPAC1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea
SMILESCCO[C@@H]1O[C@H]([C@@H](CNC(=O)NC)OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C12H24N2O6/c1-5-19-11-8(15)10(18-4)9(20-11)7(17-3)6-14-12(16)13-2/h7-11,15H,5-6H2,1-4H3,(H2,13,14,16)/t7-,8-,9-,10-,11-/m1/s1
InChIKeyCNFITXRNLNVOAR-ISUQUUIWSA-N
MW292.33 g/mol
LogP-0.93
Rot. Bonds7

About 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea

1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea (PubChem CID 22816410) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea.

Molecular Properties

Compound Name1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea
PubChem CID22816410
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea
SMILESCCO[C@@H]1O[C@H]([C@@H](CNC(=O)NC)OC)[C@H](OC)[C@H]1O
InChIInChI=1S/C12H24N2O6/c1-5-19-11-8(15)10(18-4)9(20-11)7(17-3)6-14-12(16)13-2/h7-11,15H,5-6H2,1-4H3,(H2,13,14,16)/t7-,8-,9-,10-,11-/m1/s1
InChIKeyCNFITXRNLNVOAR-ISUQUUIWSA-N
XLogP-0.93
TPSA98.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea?
The IUPAC name of 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea (CID 22816410) is 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea.
What is the SMILES notation for 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea?
The canonical SMILES for 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea is CCO[C@@H]1O[C@H]([C@@H](CNC(=O)NC)OC)[C@H](OC)[C@H]1O.
What is the InChIKey of 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea?
The InChIKey is CNFITXRNLNVOAR-ISUQUUIWSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-5-19-11-8(15)10(18-4)9(20-11)7(17-3)6-14-12(16)13-2/h7-11,15H,5-6H2,1-4H3,(H2,13,14,16)/t7-,8-,9-,10-,11-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea?
1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea has a molecular weight of 292.33 g/mol, XLogP of -0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R,3R,4R,5R)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]-2-methoxyethyl]-3-methylurea is sourced from PubChem (CID 22816410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).