2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid

C11H15N3O4 — CID 102657225

IUPAC2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-11(18-5-10(16)17)6-14(7-11)9(15)4-8-2-3-12-13-8/h2-3H,4-7H2,1H3,(H,12,13)(H,16,17)
InChIKeyOZYBRPMKBVLPJW-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.35
Rot. Bonds5

About 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102657225) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
PubChem CID102657225
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-11(18-5-10(16)17)6-14(7-11)9(15)4-8-2-3-12-13-8/h2-3H,4-7H2,1H3,(H,12,13)(H,16,17)
InChIKeyOZYBRPMKBVLPJW-UHFFFAOYSA-N
XLogP-0.35
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid (CID 102657225) is 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)Cc2ccn[nH]2)C1.
What is the InChIKey of 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is OZYBRPMKBVLPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(18-5-10(16)17)6-14(7-11)9(15)4-8-2-3-12-13-8/h2-3H,4-7H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).