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

C8H13NO3 — CID 12843797

IUPACmethyl 3-(2-oxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h2-6H2,1H3
InChIKeyZKKKRBGDNUHEAB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds3

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

methyl 3-(2-oxopyrrolidin-1-yl)propanoate (PubChem CID 12843797) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 3-(2-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxopyrrolidin-1-yl)propanoate
PubChem CID12843797
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 3-(2-oxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h2-6H2,1H3
InChIKeyZKKKRBGDNUHEAB-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(2-oxopyrrolidin-1-yl)propanoate (CID 12843797) is methyl 3-(2-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxopyrrolidin-1-yl)propanoate is COC(=O)CCN1CCCC1=O.
What is the InChIKey of methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The InChIKey is ZKKKRBGDNUHEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h2-6H2,1H3.
What are the key properties of methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
methyl 3-(2-oxopyrrolidin-1-yl)propanoate has a molecular weight of 171.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 12843797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).