methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate

C14H22N2O4 — CID 115536793

IUPACmethyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)N1CCCC1=O)C1CCCC1
InChIInChI=1S/C14H22N2O4/c1-20-14(19)10-15(11-5-2-3-6-11)9-13(18)16-8-4-7-12(16)17/h11H,2-10H2,1H3
InChIKeyJDGHWOJYFXUOFG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.55
Rot. Bonds5

About methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate

methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate (PubChem CID 115536793) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate
PubChem CID115536793
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)N1CCCC1=O)C1CCCC1
InChIInChI=1S/C14H22N2O4/c1-20-14(19)10-15(11-5-2-3-6-11)9-13(18)16-8-4-7-12(16)17/h11H,2-10H2,1H3
InChIKeyJDGHWOJYFXUOFG-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate (CID 115536793) is methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate is COC(=O)CN(CC(=O)N1CCCC1=O)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate?
The InChIKey is JDGHWOJYFXUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-20-14(19)10-15(11-5-2-3-6-11)9-13(18)16-8-4-7-12(16)17/h11H,2-10H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate?
methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate has a molecular weight of 282.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate is sourced from PubChem (CID 115536793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).