2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

C10H13N3O5 — CID 119206376

IUPAC2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O5/c1-3-13(5-7(14)15)9(17)6-4-11-10(18)12(2)8(6)16/h4H,3,5H2,1-2H3,(H,11,18)(H,14,15)
InChIKeyOIHGJTWMNLCRRL-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.38
Rot. Bonds4

About 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 119206376) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
PubChem CID119206376
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O5/c1-3-13(5-7(14)15)9(17)6-4-11-10(18)12(2)8(6)16/h4H,3,5H2,1-2H3,(H,11,18)(H,14,15)
InChIKeyOIHGJTWMNLCRRL-UHFFFAOYSA-N
XLogP-1.38
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (CID 119206376) is 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is OIHGJTWMNLCRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-3-13(5-7(14)15)9(17)6-4-11-10(18)12(2)8(6)16/h4H,3,5H2,1-2H3,(H,11,18)(H,14,15).
What are the key properties of 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119206376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).