3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid

C14H13N3O5 — CID 71692549

IUPAC3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O
InChIInChI=1S/C14H13N3O5/c18-10-6-7-5-8(1-2-9(7)15-10)14(4-3-11(19)20)12(21)16-13(22)17-14/h1-2,5H,3-4,6H2,(H,15,18)(H,19,20)(H2,16,17,21,22)
InChIKeyPCFRDNPDGMMGQK-UHFFFAOYSA-N
MW303.27 g/mol
LogP0.08
Rot. Bonds4

About 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid

3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid (PubChem CID 71692549) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid
PubChem CID71692549
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O
InChIInChI=1S/C14H13N3O5/c18-10-6-7-5-8(1-2-9(7)15-10)14(4-3-11(19)20)12(21)16-13(22)17-14/h1-2,5H,3-4,6H2,(H,15,18)(H,19,20)(H2,16,17,21,22)
InChIKeyPCFRDNPDGMMGQK-UHFFFAOYSA-N
XLogP0.08
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
2,2-difluoro-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 116839750
5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710636
2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
CID 61070388
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
CID 141283388
5-[3-(2-sulfanylethyl)oxetan-3-yl]-1,3-dihydroindol-2-one
CID 116872550
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid (CID 71692549) is 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid is O=C(O)CCC1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O.
What is the InChIKey of 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid?
The InChIKey is PCFRDNPDGMMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-10-6-7-5-8(1-2-9(7)15-10)14(4-3-11(19)20)12(21)16-13(22)17-14/h1-2,5H,3-4,6H2,(H,15,18)(H,19,20)(H2,16,17,21,22).
What are the key properties of 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid?
3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid has a molecular weight of 303.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-4-(2-oxo-1,3-dihydroindol-5-yl)imidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 71692549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).