methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate

C9H15NO3 — CID 566781

IUPACmethyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1CCC(=O)N1C
InChIInChI=1S/C9H15NO3/c1-10-7(3-5-8(10)11)4-6-9(12)13-2/h7H,3-6H2,1-2H3
InChIKeyGJARXTJXTBKSIZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds3

About methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate

methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate (PubChem CID 566781) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate
PubChem CID566781
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1CCC(=O)N1C
InChIInChI=1S/C9H15NO3/c1-10-7(3-5-8(10)11)4-6-9(12)13-2/h7H,3-6H2,1-2H3
InChIKeyGJARXTJXTBKSIZ-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate?
The IUPAC name of methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate (CID 566781) is methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate is COC(=O)CCC1CCC(=O)N1C.
What is the InChIKey of methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate?
The InChIKey is GJARXTJXTBKSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-7(3-5-8(10)11)4-6-9(12)13-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate?
methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methyl-5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 566781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).