2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C12H17N3O4 — CID 102801376

IUPAC2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCc1nn(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-8-9(4-14(3)13-8)11(18)15-6-12(2,7-15)19-5-10(16)17/h4H,5-7H2,1-3H3,(H,16,17)
InChIKeyVKNKVHBLRDKNJN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.04
Rot. Bonds4

About 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102801376) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102801376
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCc1nn(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H17N3O4/c1-8-9(4-14(3)13-8)11(18)15-6-12(2,7-15)19-5-10(16)17/h4H,5-7H2,1-3H3,(H,16,17)
InChIKeyVKNKVHBLRDKNJN-UHFFFAOYSA-N
XLogP0.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657658
2-[3-methyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657522
2-[1-(4-bromobenzoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657591
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
1-(1,3-dimethylpyrazole-4-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161004
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 75513234
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
CID 73440376
2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659193
9-(1,3-dimethylpyrazole-4-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 102801969

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102801376) is 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is Cc1nn(C)cc1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is VKNKVHBLRDKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-9(4-14(3)13-8)11(18)15-6-12(2,7-15)19-5-10(16)17/h4H,5-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethylpyrazole-4-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102801376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).