lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

C7H6LiN3O5 — CID 155823021

IUPAClithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.[Li+]
InChIInChI=1S/C7H7N3O5.Li/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13;/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15);/q;+1/p-1
InChIKeyAPHQFZNOAOOGKR-UHFFFAOYSA-M
MW219.08 g/mol
LogP-6.45
Rot. Bonds3

About lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (PubChem CID 155823021) has the molecular formula C7H6LiN3O5 and a molecular weight of 219.08 g/mol. Its IUPAC name is lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namelithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
PubChem CID155823021
Molecular FormulaC7H6LiN3O5
Molecular Weight219.08 g/mol
Exact Mass219.05
IUPAC Namelithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.[Li+]
InChIInChI=1S/C7H7N3O5.Li/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13;/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15);/q;+1/p-1
InChIKeyAPHQFZNOAOOGKR-UHFFFAOYSA-M
XLogP-6.45
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 5-6.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (CID 155823021) is lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is O=C([O-])CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.[Li+].
What is the InChIKey of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is APHQFZNOAOOGKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N3O5.Li/c11-4-1-3(9-7(15)10-4)6(14)8-2-5(12)13;/h1H,2H2,(H,8,14)(H,12,13)(H2,9,10,11,15);/q;+1/p-1.
What are the key properties of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 219.08 g/mol, XLogP of -6.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 155823021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).