2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid

C14H15N3O5 — CID 120513707

IUPAC2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C14H15N3O5/c1-14(12(21)15-13(22)16-14)9-5-3-4-8(6-9)11(20)17(2)7-10(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,16,21,22)
InChIKeyRVSGFVQDEXDZEF-UHFFFAOYSA-N
MW305.29 g/mol
LogP-0.10
Rot. Bonds4

About 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid

2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid (PubChem CID 120513707) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
PubChem CID120513707
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C14H15N3O5/c1-14(12(21)15-13(22)16-14)9-5-3-4-8(6-9)11(20)17(2)7-10(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,16,21,22)
InChIKeyRVSGFVQDEXDZEF-UHFFFAOYSA-N
XLogP-0.10
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid (CID 120513707) is 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid is CN(CC(=O)O)C(=O)c1cccc(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid?
The InChIKey is RVSGFVQDEXDZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-14(12(21)15-13(22)16-14)9-5-3-4-8(6-9)11(20)17(2)7-10(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H2,15,16,21,22).
What are the key properties of 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid?
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid has a molecular weight of 305.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 120513707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).