methyl 4-(2-oxopyrrolidin-1-yl)butanoate

C9H15NO3 — CID 15643955

IUPACmethyl 4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-13-9(12)5-3-7-10-6-2-4-8(10)11/h2-7H2,1H3
InChIKeyATRRQQINZGKHMX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds4

About methyl 4-(2-oxopyrrolidin-1-yl)butanoate

methyl 4-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 15643955) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 4-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID15643955
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 4-(2-oxopyrrolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-13-9(12)5-3-7-10-6-2-4-8(10)11/h2-7H2,1H3
InChIKeyATRRQQINZGKHMX-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 4-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 4-(2-oxopyrrolidin-1-yl)butanoate (CID 15643955) is methyl 4-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(2-oxopyrrolidin-1-yl)butanoate is COC(=O)CCCN1CCCC1=O.
What is the InChIKey of methyl 4-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is ATRRQQINZGKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-9(12)5-3-7-10-6-2-4-8(10)11/h2-7H2,1H3.
What are the key properties of methyl 4-(2-oxopyrrolidin-1-yl)butanoate?
methyl 4-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 15643955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).