methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate

C12H21NO3 — CID 58718586

IUPACmethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate
SMILESCCCC1CC(=O)N(C(CC)C(=O)OC)C1
InChIInChI=1S/C12H21NO3/c1-4-6-9-7-11(14)13(8-9)10(5-2)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyLOPBUDFWZJEGTJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate

methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate (PubChem CID 58718586) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate
PubChem CID58718586
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate
SMILESCCCC1CC(=O)N(C(CC)C(=O)OC)C1
InChIInChI=1S/C12H21NO3/c1-4-6-9-7-11(14)13(8-9)10(5-2)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyLOPBUDFWZJEGTJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate (CID 58718586) is methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate is CCCC1CC(=O)N(C(CC)C(=O)OC)C1.
What is the InChIKey of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate?
The InChIKey is LOPBUDFWZJEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-6-9-7-11(14)13(8-9)10(5-2)12(15)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate?
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 58718586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).