2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid

C11H16N4O4 — CID 102656073

IUPAC2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
SMILESCC1(OCC(=O)Nc2cnn(CC(=O)O)c2)CNC1
InChIInChI=1S/C11H16N4O4/c1-11(6-12-7-11)19-5-9(16)14-8-2-13-15(3-8)4-10(17)18/h2-3,12H,4-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyFIJCMYGSYGGBQZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.72
Rot. Bonds6

About 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 102656073) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
PubChem CID102656073
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
SMILESCC1(OCC(=O)Nc2cnn(CC(=O)O)c2)CNC1
InChIInChI=1S/C11H16N4O4/c1-11(6-12-7-11)19-5-9(16)14-8-2-13-15(3-8)4-10(17)18/h2-3,12H,4-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyFIJCMYGSYGGBQZ-UHFFFAOYSA-N
XLogP-0.72
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid (CID 102656073) is 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid is CC1(OCC(=O)Nc2cnn(CC(=O)O)c2)CNC1.
What is the InChIKey of 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is FIJCMYGSYGGBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(6-12-7-11)19-5-9(16)14-8-2-13-15(3-8)4-10(17)18/h2-3,12H,4-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 102656073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).