3-(2-oxoimidazolidin-1-yl)benzoic acid

C10H10N2O3 — CID 25220577

IUPAC3-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C10H10N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-3,6H,4-5H2,(H,11,15)(H,13,14)
InChIKeyREVYTXLGZSYHEG-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.91
Rot. Bonds2

About 3-(2-oxoimidazolidin-1-yl)benzoic acid

3-(2-oxoimidazolidin-1-yl)benzoic acid (PubChem CID 25220577) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2-oxoimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-oxoimidazolidin-1-yl)benzoic acid
PubChem CID25220577
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2-oxoimidazolidin-1-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C10H10N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-3,6H,4-5H2,(H,11,15)(H,13,14)
InChIKeyREVYTXLGZSYHEG-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-Oxopyrrolidin-1-yl)benzoic acid
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Benzoic acid, 3-[[(methylamino)thioxomethyl]amino]-
CID 893266
3-(Methylamino)benzoic acid
CID 283841
3-(Pyrrolidin-1-yl)benzoic acid
CID 651721
3-(3-Carboxypropanamido)benzoic acid
CID 757562
3-{[(4-Methylphenyl)carbamoyl]amino}benzoic acid
CID 4061431
3-(Benzoylamino)benzoic acid
CID 256617
1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CID 652224
3-(2,4-Dioxo-1,3-diazinan-1-yl)-4-methylbenzoic acid
CID 139534352
3-(2,2-Dimethylpropanamido)benzoic acid
CID 546440

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoimidazolidin-1-yl)benzoic acid?
The IUPAC name of 3-(2-oxoimidazolidin-1-yl)benzoic acid (CID 25220577) is 3-(2-oxoimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-(2-oxoimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 3-(2-oxoimidazolidin-1-yl)benzoic acid is O=C(O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of 3-(2-oxoimidazolidin-1-yl)benzoic acid?
The InChIKey is REVYTXLGZSYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9(14)7-2-1-3-8(6-7)12-5-4-11-10(12)15/h1-3,6H,4-5H2,(H,11,15)(H,13,14).
What are the key properties of 3-(2-oxoimidazolidin-1-yl)benzoic acid?
3-(2-oxoimidazolidin-1-yl)benzoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 25220577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).