2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid

C9H12N2O5 — CID 59571534

IUPAC2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid
SMILESCCOC(=O)Cn1ccn(CC(=O)O)c1=O
InChIInChI=1S/C9H12N2O5/c1-2-16-8(14)6-11-4-3-10(9(11)15)5-7(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyYCZRGOZXVPXHAO-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.70
Rot. Bonds5

About 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid

2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid (PubChem CID 59571534) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid
PubChem CID59571534
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid
SMILESCCOC(=O)Cn1ccn(CC(=O)O)c1=O
InChIInChI=1S/C9H12N2O5/c1-2-16-8(14)6-11-4-3-10(9(11)15)5-7(12)13/h3-4H,2,5-6H2,1H3,(H,12,13)
InChIKeyYCZRGOZXVPXHAO-UHFFFAOYSA-N
XLogP-0.70
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid (CID 59571534) is 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid is CCOC(=O)Cn1ccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid?
The InChIKey is YCZRGOZXVPXHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-2-16-8(14)6-11-4-3-10(9(11)15)5-7(12)13/h3-4H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid?
2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid has a molecular weight of 228.20 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid is sourced from PubChem (CID 59571534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).