5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

C9H11N3O4 — CID 135625420

IUPAC5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)CC1CCNc2nc(C(=O)O)cn21
InChIInChI=1S/C9H11N3O4/c13-7(14)3-5-1-2-10-9-11-6(8(15)16)4-12(5)9/h4-5H,1-3H2,(H,10,11)(H,13,14)(H,15,16)
InChIKeyOQCIFARDZWQJKO-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.41
Rot. Bonds3

About 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 135625420) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID135625420
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)CC1CCNc2nc(C(=O)O)cn21
InChIInChI=1S/C9H11N3O4/c13-7(14)3-5-1-2-10-9-11-6(8(15)16)4-12(5)9/h4-5H,1-3H2,(H,10,11)(H,13,14)(H,15,16)
InChIKeyOQCIFARDZWQJKO-UHFFFAOYSA-N
XLogP0.41
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 135625420) is 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)CC1CCNc2nc(C(=O)O)cn21.
What is the InChIKey of 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is OQCIFARDZWQJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7(14)3-5-1-2-10-9-11-6(8(15)16)4-12(5)9/h4-5H,1-3H2,(H,10,11)(H,13,14)(H,15,16).
What are the key properties of 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135625420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).