2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid

C10H16N2O4 — CID 80582945

IUPAC2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1ccn(CC)c1=O)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(11)15)7-8(9(13)14)16-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyMDBSZVLAKVAADB-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.16
Rot. Bonds6

About 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid

2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid (PubChem CID 80582945) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid
PubChem CID80582945
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid
SMILESCCOC(Cn1ccn(CC)c1=O)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(11)15)7-8(9(13)14)16-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyMDBSZVLAKVAADB-UHFFFAOYSA-N
XLogP0.16
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid (CID 80582945) is 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid is CCOC(Cn1ccn(CC)c1=O)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid?
The InChIKey is MDBSZVLAKVAADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(11)15)7-8(9(13)14)16-4-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid?
2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-ethyl-2-oxoimidazol-1-yl)propanoic acid is sourced from PubChem (CID 80582945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).