2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid

C11H17N3O3 — CID 43170556

IUPAC2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)14(3)13-7)4-5-10(15)12-6-11(16)17/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyTULOAUNIMOONDH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.17
Rot. Bonds5

About 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid

2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid (PubChem CID 43170556) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid
PubChem CID43170556
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)NCC(=O)O
InChIInChI=1S/C11H17N3O3/c1-7-9(8(2)14(3)13-7)4-5-10(15)12-6-11(16)17/h4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyTULOAUNIMOONDH-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid (CID 43170556) is 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid is Cc1nn(C)c(C)c1CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid?
The InChIKey is TULOAUNIMOONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-9(8(2)14(3)13-7)4-5-10(15)12-6-11(16)17/h4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid?
2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]acetic acid is sourced from PubChem (CID 43170556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).