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

C7H7LiN3O5+ — CID 126476298

IUPAClithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
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
InChIKeyAPHQFZNOAOOGKR-UHFFFAOYSA-N
MW220.09 g/mol
LogP-5.12
Rot. Bonds3

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

lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 126476298) has the molecular formula C7H7LiN3O5+ and a molecular weight of 220.09 g/mol. Its IUPAC name is lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Namelithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID126476298
Molecular FormulaC7H7LiN3O5+
Molecular Weight220.09 g/mol
Exact Mass220.05
IUPAC Namelithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
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
InChIKeyAPHQFZNOAOOGKR-UHFFFAOYSA-N
XLogP-5.12
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 5-5.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (CID 126476298) is lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid 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]acetic acid?
The InChIKey is APHQFZNOAOOGKR-UHFFFAOYSA-N. 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.
What are the key properties of lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 220.09 g/mol, XLogP of -5.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 126476298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).