[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate

C9H15NO3 — CID 71416331

IUPAC[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC[C@@H]1C
InChIInChI=1S/C9H15NO3/c1-7-4-3-5-10(7)9(12)6-13-8(2)11/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyKKNDYNIKAFMZQF-ZETCQYMHSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds2

About [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate

[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate (PubChem CID 71416331) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
PubChem CID71416331
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)N1CCC[C@@H]1C
InChIInChI=1S/C9H15NO3/c1-7-4-3-5-10(7)9(12)6-13-8(2)11/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyKKNDYNIKAFMZQF-ZETCQYMHSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 139553940
2-amino-1-(2-methylazetidin-1-yl)ethanone
CID 67101715
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate (CID 71416331) is [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate is CC(=O)OCC(=O)N1CCC[C@@H]1C.
What is the InChIKey of [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is KKNDYNIKAFMZQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-4-3-5-10(7)9(12)6-13-8(2)11/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate?
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 71416331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).