2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid

C7H8N2O4 — CID 53215757

IUPAC2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
SMILESO=C(O)COCC(=O)n1ccnc1
InChIInChI=1S/C7H8N2O4/c10-6(3-13-4-7(11)12)9-2-1-8-5-9/h1-2,5H,3-4H2,(H,11,12)
InChIKeyLEDSCXUNVZJIJP-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.38
Rot. Bonds4

About 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid

2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid (PubChem CID 53215757) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
PubChem CID53215757
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid
SMILESO=C(O)COCC(=O)n1ccnc1
InChIInChI=1S/C7H8N2O4/c10-6(3-13-4-7(11)12)9-2-1-8-5-9/h1-2,5H,3-4H2,(H,11,12)
InChIKeyLEDSCXUNVZJIJP-UHFFFAOYSA-N
XLogP-0.38
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
1,1-difluoro-2-(2-imidazol-1-yl-2-oxoethoxy)-2-oxoethanesulfonic acid
CID 58400478
4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
1,1-difluoro-2-(2-imidazol-1-yl-2-oxoethoxy)-2-oxoethanesulfonate
CID 58400477
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
1-imidazol-1-ylbut-3-en-1-one
CID 67206751
2-[(2S)-2-imidazol-1-ylpropoxy]acetic acid;hydrochloride
CID 18651594
4-bromo-1-imidazol-1-ylbutan-1-one
CID 71394827
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid?
The IUPAC name of 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid (CID 53215757) is 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid.
What is the SMILES notation for 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid?
The canonical SMILES for 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid is O=C(O)COCC(=O)n1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid?
The InChIKey is LEDSCXUNVZJIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-6(3-13-4-7(11)12)9-2-1-8-5-9/h1-2,5H,3-4H2,(H,11,12).
What are the key properties of 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid?
2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-2-oxoethoxy)acetic acid is sourced from PubChem (CID 53215757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).