2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid

C7H8N2O6 — CID 15633824

IUPAC2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C7H8N2O6/c10-4-1-8(2-5(11)12)7(15)9(4)3-6(13)14/h1-3H2,(H,11,12)(H,13,14)
InChIKeyCZPGHXAQXIBMHD-UHFFFAOYSA-N
MW216.15 g/mol
LogP-1.58
Rot. Bonds4

About 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid

2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 15633824) has the molecular formula C7H8N2O6 and a molecular weight of 216.15 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
PubChem CID15633824
Molecular FormulaC7H8N2O6
Molecular Weight216.15 g/mol
Exact Mass216.04
IUPAC Name2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C7H8N2O6/c10-4-1-8(2-5(11)12)7(15)9(4)3-6(13)14/h1-3H2,(H,11,12)(H,13,14)
InChIKeyCZPGHXAQXIBMHD-UHFFFAOYSA-N
XLogP-1.58
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid (CID 15633824) is 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is CZPGHXAQXIBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O6/c10-4-1-8(2-5(11)12)7(15)9(4)3-6(13)14/h1-3H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid?
2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 216.15 g/mol, XLogP of -1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 15633824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).