[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate

C10H15NO4 — CID 125475412

IUPAC[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)C[C@@H]1[C@@H](OC(C)=O)CC(=O)N1C
InChIInChI=1S/C10H15NO4/c1-6(12)4-8-9(15-7(2)13)5-10(14)11(8)3/h8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyIJFWVGIYWXSOTM-BDAKNGLRSA-N
MW213.23 g/mol
LogP0.13
Rot. Bonds3

About [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate

[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate (PubChem CID 125475412) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate
PubChem CID125475412
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)C[C@@H]1[C@@H](OC(C)=O)CC(=O)N1C
InChIInChI=1S/C10H15NO4/c1-6(12)4-8-9(15-7(2)13)5-10(14)11(8)3/h8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKeyIJFWVGIYWXSOTM-BDAKNGLRSA-N
XLogP0.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one
CID 121376797
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 83682880
1-methyl-3-(2-oxopropyl)pyrrolidine-2,5-dione
CID 156748607
[(2S,3S)-2-ethoxy-5-oxopyrrolidin-3-yl] acetate
CID 101107955
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1R,8aS)-3-oxo-2,5,6,8a-tetrahydro-1H-indolizin-1-yl] acetate
CID 10954465
[(2S,3S)-2-acetyloxy-1-benzyl-5-oxopyrrolidin-3-yl] acetate
CID 10637302
1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
CID 14396546
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
[(2S,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10879681

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate (CID 125475412) is [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate is CC(=O)C[C@@H]1[C@@H](OC(C)=O)CC(=O)N1C.
What is the InChIKey of [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate?
The InChIKey is IJFWVGIYWXSOTM-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(12)4-8-9(15-7(2)13)5-10(14)11(8)3/h8-9H,4-5H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate?
[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate has a molecular weight of 213.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 125475412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).