3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid

C11H17N3O3 — CID 64528511

IUPAC3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
SMILESCn1cc(C(CC(=O)O)N2CCOCC2)cn1
InChIInChI=1S/C11H17N3O3/c1-13-8-9(7-12-13)10(6-11(15)16)14-2-4-17-5-3-14/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyAERBXDKSCIYYMK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.27
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid

3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64528511) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
PubChem CID64528511
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
SMILESCn1cc(C(CC(=O)O)N2CCOCC2)cn1
InChIInChI=1S/C11H17N3O3/c1-13-8-9(7-12-13)10(6-11(15)16)14-2-4-17-5-3-14/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyAERBXDKSCIYYMK-UHFFFAOYSA-N
XLogP0.27
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid (CID 64528511) is 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid is Cn1cc(C(CC(=O)O)N2CCOCC2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is AERBXDKSCIYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-8-9(7-12-13)10(6-11(15)16)14-2-4-17-5-3-14/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64528511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).