2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid

C8H11N3O4 — CID 150251676

IUPAC2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCCc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C8H11N3O4/c1-2-4-6(9-3-5(12)13)7(14)11-8(15)10-4/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKeyFZRNOPOBXZNRGC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.88
Rot. Bonds4

About 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid

2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (PubChem CID 150251676) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
PubChem CID150251676
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCCc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O
InChIInChI=1S/C8H11N3O4/c1-2-4-6(9-3-5(12)13)7(14)11-8(15)10-4/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15)
InChIKeyFZRNOPOBXZNRGC-UHFFFAOYSA-N
XLogP-0.88
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 150397041
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465493
2-[[2-[[(E)-2-cyano-1-(methylcarbamoylamino)-1-oxopent-2-en-3-yl]amino]acetyl]amino]acetic acid
CID 56691382
2-[[2-[[2-Cyano-1-(methylcarbamoylamino)-1-oxopent-2-en-3-yl]amino]acetyl]amino]acetic acid
CID 76395822
2-(5-amino-6-ethyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 91621389
2-[[2-[[(Z)-2-cyano-1-(methylcarbamoylamino)-1-oxopent-2-en-3-yl]amino]acetyl]amino]acetic acid
CID 99902227

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (CID 150251676) is 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is CCc1[nH]c(=O)[nH]c(=O)c1NCC(=O)O.
What is the InChIKey of 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The InChIKey is FZRNOPOBXZNRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-4-6(9-3-5(12)13)7(14)11-8(15)10-4/h9H,2-3H2,1H3,(H,12,13)(H2,10,11,14,15).
What are the key properties of 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 150251676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).