2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid

C10H9N3O4 — CID 124848217

IUPAC2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@H]1NC(=O)N(c2cccnc2)C1=O
InChIInChI=1S/C10H9N3O4/c14-8(15)4-7-9(16)13(10(17)12-7)6-2-1-3-11-5-6/h1-3,5,7H,4H2,(H,12,17)(H,14,15)/t7-/m1/s1
InChIKeyMKHJUTJEBRTVIL-SSDOTTSWSA-N
MW235.20 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid

2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid (PubChem CID 124848217) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
PubChem CID124848217
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
SMILESO=C(O)C[C@H]1NC(=O)N(c2cccnc2)C1=O
InChIInChI=1S/C10H9N3O4/c14-8(15)4-7-9(16)13(10(17)12-7)6-2-1-3-11-5-6/h1-3,5,7H,4H2,(H,12,17)(H,14,15)/t7-/m1/s1
InChIKeyMKHJUTJEBRTVIL-SSDOTTSWSA-N
XLogP-0.02
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.02
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

2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
2-[(4S)-2,5-dioxo-1-thiophen-3-ylimidazolidin-4-yl]acetic acid
CID 102323019
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
5-pyridin-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 91809542
(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
2-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 3033218
(3aR,4R,7R,7aR)-4,7-diphenyl-2-pyridin-3-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6361795
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid (CID 124848217) is 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid is O=C(O)C[C@H]1NC(=O)N(c2cccnc2)C1=O.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid?
The InChIKey is MKHJUTJEBRTVIL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9N3O4/c14-8(15)4-7-9(16)13(10(17)12-7)6-2-1-3-11-5-6/h1-3,5,7H,4H2,(H,12,17)(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid?
2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid has a molecular weight of 235.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 124848217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).