2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid

C11H18N2O5 — CID 61328619

IUPAC2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid
SMILESCC(CN1CCCC1=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-8(5-13-4-2-3-10(13)15)12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyMHXGQMFYPFVNMG-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.79
Rot. Bonds7

About 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid

2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid (PubChem CID 61328619) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid
PubChem CID61328619
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid
SMILESCC(CN1CCCC1=O)NC(=O)COCC(=O)O
InChIInChI=1S/C11H18N2O5/c1-8(5-13-4-2-3-10(13)15)12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyMHXGQMFYPFVNMG-UHFFFAOYSA-N
XLogP-0.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid (CID 61328619) is 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid is CC(CN1CCCC1=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid?
The InChIKey is MHXGQMFYPFVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-8(5-13-4-2-3-10(13)15)12-9(14)6-18-7-11(16)17/h8H,2-7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid?
2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethoxy]acetic acid is sourced from PubChem (CID 61328619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).