3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid

C12H14N2O3 — CID 105494157

IUPAC3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid
SMILESCC1(C)CNC(=O)N1c1cccc(C(=O)O)c1
InChIInChI=1S/C12H14N2O3/c1-12(2)7-13-11(17)14(12)9-5-3-4-8(6-9)10(15)16/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGCYFAFLJOVDNGB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.69
Rot. Bonds2

About 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid

3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid (PubChem CID 105494157) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid
PubChem CID105494157
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid
SMILESCC1(C)CNC(=O)N1c1cccc(C(=O)O)c1
InChIInChI=1S/C12H14N2O3/c1-12(2)7-13-11(17)14(12)9-5-3-4-8(6-9)10(15)16/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyGCYFAFLJOVDNGB-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4,7-dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl)benzoic acid
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3-(5-oxo-4,6-diazaspiro[2.4]heptan-6-yl)benzoic acid
CID 105490516
3-[(1S,9S)-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl]benzoic acid
CID 95732621
3,3-dimethyl-4-methylsulfonyl-1,2-dihydroquinoxaline-6-carboxylic acid
CID 84643395
3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]benzoic acid
CID 146134465
3-[(15S,19S)-1,8-dimethyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoic acid
CID 1275043
3-[(1R,9R)-4-bromo-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]benzoic acid
CID 7183416
3-(3-methyl-2-oxopyrrolidin-3-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid?
The IUPAC name of 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid (CID 105494157) is 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid.
What is the SMILES notation for 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid?
The canonical SMILES for 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid is CC1(C)CNC(=O)N1c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid?
The InChIKey is GCYFAFLJOVDNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2)7-13-11(17)14(12)9-5-3-4-8(6-9)10(15)16/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid?
3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2-oxoimidazolidin-1-yl)benzoic acid is sourced from PubChem (CID 105494157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).