2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid

C13H21N3O3 — CID 43630989

IUPAC2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-6-11(13(18)19)14-12(17)7-10-8(2)15-16(4)9(10)3/h11H,5-7H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyXCTUAFKOVVGFKO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.95
Rot. Bonds6

About 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid

2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid (PubChem CID 43630989) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
PubChem CID43630989
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
SMILESCCCC(NC(=O)Cc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-5-6-11(13(18)19)14-12(17)7-10-8(2)15-16(4)9(10)3/h11H,5-7H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyXCTUAFKOVVGFKO-UHFFFAOYSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid (CID 43630989) is 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid is CCCC(NC(=O)Cc1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid?
The InChIKey is XCTUAFKOVVGFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-11(13(18)19)14-12(17)7-10-8(2)15-16(4)9(10)3/h11H,5-7H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid?
2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43630989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).