3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid

C9H12N2O3 — CID 80580791

IUPAC3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C9H12N2O3/c12-8(13)3-4-10-5-6-11(9(10)14)7-1-2-7/h5-7H,1-4H2,(H,12,13)
InChIKeyAIFYKYIARAQQGI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.46
Rot. Bonds4

About 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid

3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid (PubChem CID 80580791) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid
PubChem CID80580791
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C9H12N2O3/c12-8(13)3-4-10-5-6-11(9(10)14)7-1-2-7/h5-7H,1-4H2,(H,12,13)
InChIKeyAIFYKYIARAQQGI-UHFFFAOYSA-N
XLogP0.46
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid (CID 80580791) is 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid is O=C(O)CCn1ccn(C2CC2)c1=O.
What is the InChIKey of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid?
The InChIKey is AIFYKYIARAQQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(13)3-4-10-5-6-11(9(10)14)7-1-2-7/h5-7H,1-4H2,(H,12,13).
What are the key properties of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid?
3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanoic acid is sourced from PubChem (CID 80580791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).