2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid

C13H11N3O6 — CID 134433696

IUPAC2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H11N3O6/c17-10-5-8(15-13(21)16-10)12(20)14-7-3-1-2-4-9(7)22-6-11(18)19/h1-5H,6H2,(H,14,20)(H,18,19)(H2,15,16,17,21)
InChIKeyJDPSKEZCEBBNTL-UHFFFAOYSA-N
MW305.25 g/mol
LogP-0.22
Rot. Bonds5

About 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid

2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid (PubChem CID 134433696) has the molecular formula C13H11N3O6 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
PubChem CID134433696
Molecular FormulaC13H11N3O6
Molecular Weight305.25 g/mol
Exact Mass305.06
IUPAC Name2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H11N3O6/c17-10-5-8(15-13(21)16-10)12(20)14-7-3-1-2-4-9(7)22-6-11(18)19/h1-5H,6H2,(H,14,20)(H,18,19)(H2,15,16,17,21)
InChIKeyJDPSKEZCEBBNTL-UHFFFAOYSA-N
XLogP-0.22
TPSA141.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
CID 104739610
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63746198
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
CID 110698347
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid (CID 134433696) is 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JDPSKEZCEBBNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6/c17-10-5-8(15-13(21)16-10)12(20)14-7-3-1-2-4-9(7)22-6-11(18)19/h1-5H,6H2,(H,14,20)(H,18,19)(H2,15,16,17,21).
What are the key properties of 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 305.25 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 134433696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).