2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid

C14H21N3O4 — CID 119214656

IUPAC2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
SMILESCc1cc(C)n(CC(=O)NC2(CC(=O)O)CCOCC2)n1
InChIInChI=1S/C14H21N3O4/c1-10-7-11(2)17(16-10)9-12(18)15-14(8-13(19)20)3-5-21-6-4-14/h7H,3-6,8-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyUHWLTBXCXACKKP-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.64
Rot. Bonds5

About 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid (PubChem CID 119214656) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
PubChem CID119214656
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid
SMILESCc1cc(C)n(CC(=O)NC2(CC(=O)O)CCOCC2)n1
InChIInChI=1S/C14H21N3O4/c1-10-7-11(2)17(16-10)9-12(18)15-14(8-13(19)20)3-5-21-6-4-14/h7H,3-6,8-9H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyUHWLTBXCXACKKP-UHFFFAOYSA-N
XLogP0.64
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid (CID 119214656) is 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid is Cc1cc(C)n(CC(=O)NC2(CC(=O)O)CCOCC2)n1.
What is the InChIKey of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid?
The InChIKey is UHWLTBXCXACKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-7-11(2)17(16-10)9-12(18)15-14(8-13(19)20)3-5-21-6-4-14/h7H,3-6,8-9H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).