2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid

C13H18N2O4 — CID 116979749

IUPAC2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(CC(C)(C)C(=O)O)C(=O)N2)o1
InChIInChI=1S/C13H18N2O4/c1-8-4-5-10(19-8)9-6-15(12(18)14-9)7-13(2,3)11(16)17/h4-5,9H,6-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZLUTWTZGOFBUSY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds4

About 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid

2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116979749) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116979749
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(CC(C)(C)C(=O)O)C(=O)N2)o1
InChIInChI=1S/C13H18N2O4/c1-8-4-5-10(19-8)9-6-15(12(18)14-9)7-13(2,3)11(16)17/h4-5,9H,6-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZLUTWTZGOFBUSY-UHFFFAOYSA-N
XLogP1.77
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 6-methyl-4-(5-methylfuran-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2817094
(2S,3R)-2-(3-(furan-2-ylmethyl)ureido)-3-methylpentanoic acid
CID 663639
methyl (6R)-3-ethyl-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 16759616
methyl (6R)-3-(2-ethoxy-2-oxoethyl)-6-(furan-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 16759617
methyl (6R)-6-(furan-2-yl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 16759618
{1-[(5-Methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetic acid
CID 2997285
methyl (6S)-6-(furan-2-yl)-3-(furan-2-ylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 16759615
3-Acetamido-3-(furan-2-yl)propanoic acid
CID 3109777
Propanedinitrile, (1-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
CID 6449357
Propanedinitrile, (1-(2-(((5-((ethylmethylamino)methyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
CID 6449358
2-(5-Methylfuran-2-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 16793089
2-(4-(Furan-2-yl)-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 118972738

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116979749) is 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is Cc1ccc(C2CN(CC(C)(C)C(=O)O)C(=O)N2)o1.
What is the InChIKey of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is ZLUTWTZGOFBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-5-10(19-8)9-6-15(12(18)14-9)7-13(2,3)11(16)17/h4-5,9H,6-7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116979749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).