3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid

C10H15NO4 — CID 130577831

IUPAC3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C2CCCO2)CC(=O)NC1C(=O)O
InChIInChI=1S/C10H15NO4/c1-10(6-3-2-4-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPWERDYIPHIHGBM-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.14
Rot. Bonds2

About 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid

3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 130577831) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID130577831
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C2CCCO2)CC(=O)NC1C(=O)O
InChIInChI=1S/C10H15NO4/c1-10(6-3-2-4-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPWERDYIPHIHGBM-UHFFFAOYSA-N
XLogP0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid (CID 130577831) is 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid is CC1(C2CCCO2)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PWERDYIPHIHGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(6-3-2-4-15-6)5-7(12)11-8(10)9(13)14/h6,8H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid?
3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130577831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).