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

C11H14N2O4 — CID 116979642

IUPAC2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(C(C)C(=O)O)C(=O)N2)o1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-9(17-6)8-5-13(11(16)12-8)7(2)10(14)15/h3-4,7-8H,5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKHRQKKCYGCWYIK-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.13
Rot. Bonds3

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

2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116979642) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116979642
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1ccc(C2CN(C(C)C(=O)O)C(=O)N2)o1
InChIInChI=1S/C11H14N2O4/c1-6-3-4-9(17-6)8-5-13(11(16)12-8)7(2)10(14)15/h3-4,7-8H,5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKHRQKKCYGCWYIK-UHFFFAOYSA-N
XLogP1.13
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979749
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
CID 116980562
1-(3-aminobutyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
CID 116978772
1-(3-amino-2-methylpropyl)-4-(5-methylfuran-2-yl)imidazolidin-2-one
CID 116978725
2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979629
(2R,4R)-4-(5-methylfuran-2-yl)-1,3-thiazolidine-2-carboxylic acid
CID 93020096
(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
CID 130804717
5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 112546391
(3S,4R)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129369635
2-(5-methylfuran-2-yl)-1,3-dioxolane-4-carboxylic acid
CID 115094622
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid
CID 116829420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116979642) is 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is Cc1ccc(C2CN(C(C)C(=O)O)C(=O)N2)o1.
What is the InChIKey of 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is KHRQKKCYGCWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-3-4-9(17-6)8-5-13(11(16)12-8)7(2)10(14)15/h3-4,7-8H,5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid?
2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-yl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116979642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).