2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid

C11H17N3O2 — CID 105480608

IUPAC2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid
SMILESCC(Cc1ccnn1C1CN(C)C1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-8(11(15)16)5-9-3-4-12-14(9)10-6-13(2)7-10/h3-4,8,10H,5-7H2,1-2H3,(H,15,16)
InChIKeyPLHZALMGHRCDTG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds4

About 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid

2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid (PubChem CID 105480608) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid
PubChem CID105480608
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid
SMILESCC(Cc1ccnn1C1CN(C)C1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-8(11(15)16)5-9-3-4-12-14(9)10-6-13(2)7-10/h3-4,8,10H,5-7H2,1-2H3,(H,15,16)
InChIKeyPLHZALMGHRCDTG-UHFFFAOYSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid (CID 105480608) is 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid is CC(Cc1ccnn1C1CN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
The InChIKey is PLHZALMGHRCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(11(15)16)5-9-3-4-12-14(9)10-6-13(2)7-10/h3-4,8,10H,5-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid?
2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 105480608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).