2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid

C11H16N2O6 — CID 123812501

IUPAC2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H16N2O6/c1-12(7-9(15)16)10(17)11(18)19-6-5-13-4-2-3-8(13)14/h2-7H2,1H3,(H,15,16)
InChIKeyPPAFFJWXFPOGFJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.30
Rot. Bonds5

About 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid

2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid (PubChem CID 123812501) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid
PubChem CID123812501
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(=O)OCCN1CCCC1=O
InChIInChI=1S/C11H16N2O6/c1-12(7-9(15)16)10(17)11(18)19-6-5-13-4-2-3-8(13)14/h2-7H2,1H3,(H,15,16)
InChIKeyPPAFFJWXFPOGFJ-UHFFFAOYSA-N
XLogP-1.30
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid (CID 123812501) is 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)C(=O)OCCN1CCCC1=O.
What is the InChIKey of 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid?
The InChIKey is PPAFFJWXFPOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-12(7-9(15)16)10(17)11(18)19-6-5-13-4-2-3-8(13)14/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid?
2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid has a molecular weight of 272.26 g/mol, XLogP of -1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]acetyl]amino]acetic acid is sourced from PubChem (CID 123812501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).