4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid

C14H16N2O5 — CID 134494415

IUPAC4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESCOC(C)(C)C1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O5/c1-13(2,21-3)14(11(19)15-12(20)16-14)9-6-4-8(5-7-9)10(17)18/h4-7H,1-3H3,(H,17,18)(H2,15,16,19,20)
InChIKeyBIYKFUUPWQBOAN-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.84
Rot. Bonds4

About 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid

4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid (PubChem CID 134494415) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid
PubChem CID134494415
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid
SMILESCOC(C)(C)C1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C14H16N2O5/c1-13(2,21-3)14(11(19)15-12(20)16-14)9-6-4-8(5-7-9)10(17)18/h4-7H,1-3H3,(H,17,18)(H2,15,16,19,20)
InChIKeyBIYKFUUPWQBOAN-UHFFFAOYSA-N
XLogP0.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid with MolForge

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Related Compounds

5-(4-tert-butyl-2,5-dioxoimidazolidin-4-yl)pyridine-2-carboxylic acid
CID 134495197
4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 54049258
4-(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494482
terephthalic acid;dihydrofluoride
CID 70485309
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494418
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
terephthalic acid
CID 160582437
2-hydroperoxy-2-methylpropane;terephthalic acid
CID 160701504
4-(1,1-dimethoxyethoxy)benzoic acid
CID 174603302
methyl 2-tert-butyl-3,3-dimethylbutanoate;terephthalic acid
CID 174607770
4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid
CID 19176749
4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
CID 105477023

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The IUPAC name of 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid (CID 134494415) is 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The canonical SMILES for 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid is COC(C)(C)C1(c2ccc(C(=O)O)cc2)NC(=O)NC1=O.
What is the InChIKey of 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid?
The InChIKey is BIYKFUUPWQBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-13(2,21-3)14(11(19)15-12(20)16-14)9-6-4-8(5-7-9)10(17)18/h4-7H,1-3H3,(H,17,18)(H2,15,16,19,20).
What are the key properties of 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid?
4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxypropan-2-yl)-2,5-dioxoimidazolidin-4-yl]benzoic acid is sourced from PubChem (CID 134494415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).