2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid

C10H10N2O3 — CID 15558036

IUPAC2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O3/c1-5(9(13)14)6-2-3-7-8(4-6)12-10(15)11-7/h2-5H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLKJRYNPYKZOUDQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.04
Rot. Bonds2

About 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid (PubChem CID 15558036) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid
PubChem CID15558036
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O3/c1-5(9(13)14)6-2-3-7-8(4-6)12-10(15)11-7/h2-5H,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLKJRYNPYKZOUDQ-UHFFFAOYSA-N
XLogP1.04
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid (CID 15558036) is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid is CC(C(=O)O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid?
The InChIKey is LKJRYNPYKZOUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(9(13)14)6-2-3-7-8(4-6)12-10(15)11-7/h2-5H,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid?
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 15558036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).