2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide

C9H15NO3 — CID 14684455

IUPAC2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide
SMILESCC[C@@H]1C(=O)OC[C@@H]1CC(=O)NC
InChIInChI=1S/C9H15NO3/c1-3-7-6(4-8(11)10-2)5-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyJQYYCHIRWPKYSB-BQBZGAKWSA-N
MW185.22 g/mol
LogP0.32
Rot. Bonds3

About 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide

2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide (PubChem CID 14684455) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide
PubChem CID14684455
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide
SMILESCC[C@@H]1C(=O)OC[C@@H]1CC(=O)NC
InChIInChI=1S/C9H15NO3/c1-3-7-6(4-8(11)10-2)5-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyJQYYCHIRWPKYSB-BQBZGAKWSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-ethyl-3-propyloxolan-2-one
CID 101032694
(3S,4R)-4-ethyl-5-oxooxolane-3-carbaldehyde
CID 93496206
methyl 2-(4-ethyl-5-oxooxolan-3-yl)prop-2-enoate
CID 141101619
4-(3-oxobutyl)-3-propyloxolan-2-one
CID 86573717
(E)-3-(4-ethyl-5-oxooxolan-3-yl)-2-methylprop-2-enoic acid
CID 141130679
(3S,4R)-3-ethyl-4-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]oxolan-2-one
CID 86340211
bis((3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one);dihydrochloride
CID 69466975
(4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride
CID 43834362
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride
CID 10285971
2-cyclobutyl-N-methylacetamide
CID 57296172
(3R,4S)-4-(4-chlorophenyl)-3-ethyloxolan-2-one
CID 125475706
(3S,4R)-3-ethyl-4-[[3-(trideuteriomethyl)imidazol-4-yl]methyl]oxolan-2-one
CID 46782755

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide (CID 14684455) is 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide is CC[C@@H]1C(=O)OC[C@@H]1CC(=O)NC.
What is the InChIKey of 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide?
The InChIKey is JQYYCHIRWPKYSB-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7-6(4-8(11)10-2)5-13-9(7)12/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide?
2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide has a molecular weight of 185.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-ethyl-5-oxooxolan-3-yl]-N-methylacetamide is sourced from PubChem (CID 14684455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).