2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid

C8H10N4O3 — CID 159678462

IUPAC2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid
SMILESNc1nccc(C2C(O)CN2C(=O)O)n1
InChIInChI=1S/C8H10N4O3/c9-7-10-2-1-4(11-7)6-5(13)3-12(6)8(14)15/h1-2,5-6,13H,3H2,(H,14,15)(H2,9,10,11)
InChIKeyMUXISLZDAWDLMC-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.55
Rot. Bonds1

About 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid

2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid (PubChem CID 159678462) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid
PubChem CID159678462
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid
SMILESNc1nccc(C2C(O)CN2C(=O)O)n1
InChIInChI=1S/C8H10N4O3/c9-7-10-2-1-4(11-7)6-5(13)3-12(6)8(14)15/h1-2,5-6,13H,3H2,(H,14,15)(H2,9,10,11)
InChIKeyMUXISLZDAWDLMC-UHFFFAOYSA-N
XLogP-0.55
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid (CID 159678462) is 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid is Nc1nccc(C2C(O)CN2C(=O)O)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid?
The InChIKey is MUXISLZDAWDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-7-10-2-1-4(11-7)6-5(13)3-12(6)8(14)15/h1-2,5-6,13H,3H2,(H,14,15)(H2,9,10,11).
What are the key properties of 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid?
2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-3-hydroxyazetidine-1-carboxylic acid is sourced from PubChem (CID 159678462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).