2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid

C11H15N3O4 — CID 103117253

IUPAC2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCn1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-11(18-5-9(15)16)6-14(7-11)10(17)8-3-4-13(2)12-8/h3-4H,5-7H2,1-2H3,(H,15,16)
InChIKeyKAGQIMBWONEVRV-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.26
Rot. Bonds4

About 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 103117253) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID103117253
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCn1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O4/c1-11(18-5-9(15)16)6-14(7-11)10(17)8-3-4-13(2)12-8/h3-4H,5-7H2,1-2H3,(H,15,16)
InChIKeyKAGQIMBWONEVRV-UHFFFAOYSA-N
XLogP-0.26
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102801376
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 114102920
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
2-[1-(3-amino-4-chlorobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658189
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122961
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103899127
2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658501
2-[3-methyl-1-(3-phenylprop-2-ynoyl)azetidin-3-yl]oxyacetic acid
CID 102657096

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid (CID 103117253) is 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid is Cn1ccc(C(=O)N2CC(C)(OCC(=O)O)C2)n1.
What is the InChIKey of 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is KAGQIMBWONEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(18-5-9(15)16)6-14(7-11)10(17)8-3-4-13(2)12-8/h3-4H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(1-methylpyrazole-3-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 103117253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).