ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate

C12H20N2O3 — CID 115539069

IUPACethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C1CCN(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-4-7-14(9-11(15)17-5-2)10-6-8-13(3)12(10)16/h4,10H,1,5-9H2,2-3H3
InChIKeyQCJRDBDENYFWAP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.27
Rot. Bonds6

About ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate

ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate (PubChem CID 115539069) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate
PubChem CID115539069
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C1CCN(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-4-7-14(9-11(15)17-5-2)10-6-8-13(3)12(10)16/h4,10H,1,5-9H2,2-3H3
InChIKeyQCJRDBDENYFWAP-UHFFFAOYSA-N
XLogP0.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate (CID 115539069) is ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C1CCN(C)C1=O.
What is the InChIKey of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate?
The InChIKey is QCJRDBDENYFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-7-14(9-11(15)17-5-2)10-6-8-13(3)12(10)16/h4,10H,1,5-9H2,2-3H3.
What are the key properties of ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate?
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate has a molecular weight of 240.30 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)-prop-2-enylamino]acetate is sourced from PubChem (CID 115539069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).