6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

C7H6N2O5 — CID 82398505

IUPAC6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)Cc1[nH]c(=O)ncc1C(=O)O
InChIInChI=1S/C7H6N2O5/c10-5(11)1-4-3(6(12)13)2-8-7(14)9-4/h2H,1H2,(H,10,11)(H,12,13)(H,8,9,14)
InChIKeyKQLUJVSZHQWGPU-UHFFFAOYSA-N
MW198.13 g/mol
LogP-0.90
Rot. Bonds3

About 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 82398505) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID82398505
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)Cc1[nH]c(=O)ncc1C(=O)O
InChIInChI=1S/C7H6N2O5/c10-5(11)1-4-3(6(12)13)2-8-7(14)9-4/h2H,1H2,(H,10,11)(H,12,13)(H,8,9,14)
InChIKeyKQLUJVSZHQWGPU-UHFFFAOYSA-N
XLogP-0.90
TPSA120.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 82398505) is 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)Cc1[nH]c(=O)ncc1C(=O)O.
What is the InChIKey of 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is KQLUJVSZHQWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c10-5(11)1-4-3(6(12)13)2-8-7(14)9-4/h2H,1H2,(H,10,11)(H,12,13)(H,8,9,14).
What are the key properties of 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 198.13 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carboxymethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82398505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).