2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid

C13H15N3O5 — CID 21444804

IUPAC2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid
SMILESCC1CNC(=O)N1C(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O5/c1-7-6-14-12(20)16(7)13(21)15-10(11(18)19)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyKPDSYDHTVMDUEH-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid

2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid (PubChem CID 21444804) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid
PubChem CID21444804
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid
SMILESCC1CNC(=O)N1C(=O)NC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O5/c1-7-6-14-12(20)16(7)13(21)15-10(11(18)19)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyKPDSYDHTVMDUEH-UHFFFAOYSA-N
XLogP0.64
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid (CID 21444804) is 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid is CC1CNC(=O)N1C(=O)NC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
The InChIKey is KPDSYDHTVMDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7-6-14-12(20)16(7)13(21)15-10(11(18)19)8-2-4-9(17)5-3-8/h2-5,7,10,17H,6H2,1H3,(H,14,20)(H,15,21)(H,18,19).
What are the key properties of 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid?
2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid has a molecular weight of 293.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-[(5-methyl-2-oxoimidazolidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 21444804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).