3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid

C12H13N3O4 — CID 82148086

IUPAC3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
SMILESCC1(c2ccccn2)NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C12H13N3O4/c1-12(8-4-2-3-6-13-8)10(18)15(11(19)14-12)7-5-9(16)17/h2-4,6H,5,7H2,1H3,(H,14,19)(H,16,17)
InChIKeyWRNLGOHUFLCPBP-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.32
Rot. Bonds4

About 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid

3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid (PubChem CID 82148086) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
PubChem CID82148086
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
SMILESCC1(c2ccccn2)NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C12H13N3O4/c1-12(8-4-2-3-6-13-8)10(18)15(11(19)14-12)7-5-9(16)17/h2-4,6H,5,7H2,1H3,(H,14,19)(H,16,17)
InChIKeyWRNLGOHUFLCPBP-UHFFFAOYSA-N
XLogP0.32
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 129433533
3-[4-methyl-2,5-dioxo-4-(1H-pyrrol-3-yl)imidazolidin-1-yl]propanoic acid
CID 82297734
4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 97021801
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 139004992

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid (CID 82148086) is 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid is CC1(c2ccccn2)NC(=O)N(CCC(=O)O)C1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid?
The InChIKey is WRNLGOHUFLCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-12(8-4-2-3-6-13-8)10(18)15(11(19)14-12)7-5-9(16)17/h2-4,6H,5,7H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid?
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 82148086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).