2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

C12H21N3O5 — CID 61477554

IUPAC2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CN1CCCC1)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H21N3O5/c1-9(6-15-4-2-3-5-15)13-12(19)14-10(16)7-20-8-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQTXNTFHLDKMCJH-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.60
Rot. Bonds7

About 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 61477554) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID61477554
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CN1CCCC1)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H21N3O5/c1-9(6-15-4-2-3-5-15)13-12(19)14-10(16)7-20-8-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQTXNTFHLDKMCJH-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (CID 61477554) is 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is CC(CN1CCCC1)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is QTXNTFHLDKMCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-9(6-15-4-2-3-5-15)13-12(19)14-10(16)7-20-8-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 61477554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).