methyl 2-(5-oxopyrrolidin-2-yl)acetate

C7H11NO3 — CID 14587545

IUPACmethyl 2-(5-oxopyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyCFABROWAKYVCGK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.17
Rot. Bonds2

About methyl 2-(5-oxopyrrolidin-2-yl)acetate

methyl 2-(5-oxopyrrolidin-2-yl)acetate (PubChem CID 14587545) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-(5-oxopyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-oxopyrrolidin-2-yl)acetate
PubChem CID14587545
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-(5-oxopyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CCC(=O)N1
InChIInChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)
InChIKeyCFABROWAKYVCGK-UHFFFAOYSA-N
XLogP-0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-oxopyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-(5-oxopyrrolidin-2-yl)acetate (CID 14587545) is methyl 2-(5-oxopyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-oxopyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-oxopyrrolidin-2-yl)acetate is COC(=O)CC1CCC(=O)N1.
What is the InChIKey of methyl 2-(5-oxopyrrolidin-2-yl)acetate?
The InChIKey is CFABROWAKYVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(10)4-5-2-3-6(9)8-5/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of methyl 2-(5-oxopyrrolidin-2-yl)acetate?
methyl 2-(5-oxopyrrolidin-2-yl)acetate has a molecular weight of 157.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-oxopyrrolidin-2-yl)acetate is sourced from PubChem (CID 14587545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).