2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid

C12H17N3O4 — CID 102657929

IUPAC2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCOc1ccnc(N2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O4/c1-3-18-9-4-5-13-11(14-9)15-7-12(2,8-15)19-6-10(16)17/h4-5H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyVWNRDHOOSPMWLC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.56
Rot. Bonds6

About 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657929) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657929
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCOc1ccnc(N2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O4/c1-3-18-9-4-5-13-11(14-9)15-7-12(2,8-15)19-6-10(16)17/h4-5H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyVWNRDHOOSPMWLC-UHFFFAOYSA-N
XLogP0.56
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxyacetic acid
CID 102657962
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932
2-[3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyacetic acid
CID 102658024
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzaldehyde
CID 87801234
1-(4-ethoxypyrimidin-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 146142616
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657929) is 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid is CCOc1ccnc(N2CC(C)(OCC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is VWNRDHOOSPMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-18-9-4-5-13-11(14-9)15-7-12(2,8-15)19-6-10(16)17/h4-5H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxypyrimidin-2-yl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).