3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid

C10H10N4O4 — CID 121449056

IUPAC3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(c2ncccn2)NC(=O)NC1=O
InChIInChI=1S/C10H10N4O4/c15-6(16)2-3-10(7-11-4-1-5-12-7)8(17)13-9(18)14-10/h1,4-5H,2-3H2,(H,15,16)(H2,13,14,17,18)
InChIKeyBMCNWQXUGLAOTI-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.62
Rot. Bonds4

About 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid

3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid (PubChem CID 121449056) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
PubChem CID121449056
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(c2ncccn2)NC(=O)NC1=O
InChIInChI=1S/C10H10N4O4/c15-6(16)2-3-10(7-11-4-1-5-12-7)8(17)13-9(18)14-10/h1,4-5H,2-3H2,(H,15,16)(H2,13,14,17,18)
InChIKeyBMCNWQXUGLAOTI-UHFFFAOYSA-N
XLogP-0.62
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dioxo-2-pyrimidin-2-ylpyrrolidin-2-yl)propanoic acid
CID 153020300
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-pyridin-2-ylpropanamide
CID 110677297
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110677230
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 156823207
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
5-(3-methyl-3H-pyrrol-5-yl)-5-(3-oxobutyl)imidazolidine-2,4-dione
CID 157320415
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 110677220
N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677225
3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanoic acid
CID 118541146

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid (CID 121449056) is 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid is O=C(O)CCC1(c2ncccn2)NC(=O)NC1=O.
What is the InChIKey of 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid?
The InChIKey is BMCNWQXUGLAOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-6(16)2-3-10(7-11-4-1-5-12-7)8(17)13-9(18)14-10/h1,4-5H,2-3H2,(H,15,16)(H2,13,14,17,18).
What are the key properties of 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid?
3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid has a molecular weight of 250.21 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid is sourced from PubChem (CID 121449056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).