(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one

C6H12N2O2 — CID 134483812

IUPAC(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
SMILESCOC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C6H12N2O2/c1-4-5(3-10-2)8-6(9)7-4/h4-5H,3H2,1-2H3,(H2,7,8,9)/t4-,5+/m0/s1
InChIKeyCPTDTSBEQFLCSV-CRCLSJGQSA-N
MW144.17 g/mol
LogP-0.30
Rot. Bonds2

About (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one

(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one (PubChem CID 134483812) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
PubChem CID134483812
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
SMILESCOC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C6H12N2O2/c1-4-5(3-10-2)8-6(9)7-4/h4-5H,3H2,1-2H3,(H2,7,8,9)/t4-,5+/m0/s1
InChIKeyCPTDTSBEQFLCSV-CRCLSJGQSA-N
XLogP-0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-methylimidazolidin-2-one
CID 22042260
4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
CID 163839041
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid
CID 90488095
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
4-methyl-5-(2,2,3,3-tetramethyl-4-oxopentyl)imidazolidin-2-one
CID 167227909
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
4-iodo-5-methylimidazolidin-2-one
CID 147926542
3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
CID 10633100
CID 73212702
CID 73212702

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one?
The IUPAC name of (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one (CID 134483812) is (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one is COC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one?
The InChIKey is CPTDTSBEQFLCSV-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(3-10-2)8-6(9)7-4/h4-5H,3H2,1-2H3,(H2,7,8,9)/t4-,5+/m0/s1.
What are the key properties of (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one?
(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one is sourced from PubChem (CID 134483812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).