2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid

C9H11N3O2 — CID 174650523

IUPAC2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid
SMILESCc1cnc(C2CCN2C(=O)O)nc1
InChIInChI=1S/C9H11N3O2/c1-6-4-10-8(11-5-6)7-2-3-12(7)9(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyDWOQJHCHZFJZRT-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.21
Rot. Bonds1

About 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid

2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid (PubChem CID 174650523) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid
PubChem CID174650523
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid
SMILESCc1cnc(C2CCN2C(=O)O)nc1
InChIInChI=1S/C9H11N3O2/c1-6-4-10-8(11-5-6)7-2-3-12(7)9(13)14/h4-5,7H,2-3H2,1H3,(H,13,14)
InChIKeyDWOQJHCHZFJZRT-UHFFFAOYSA-N
XLogP1.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid (CID 174650523) is 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid is Cc1cnc(C2CCN2C(=O)O)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid?
The InChIKey is DWOQJHCHZFJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-10-8(11-5-6)7-2-3-12(7)9(13)14/h4-5,7H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid?
2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 174650523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).