2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid

C11H16N4O2 — CID 102568471

IUPAC2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-8(11(16)17)15-7-9(6-13-15)14-10-4-2-3-5-12-10/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17)
InChIKeyIHGLAAOGZGNUIB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid

2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid (PubChem CID 102568471) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid
PubChem CID102568471
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(NC2=NCCCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-8(11(16)17)15-7-9(6-13-15)14-10-4-2-3-5-12-10/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17)
InChIKeyIHGLAAOGZGNUIB-UHFFFAOYSA-N
XLogP1.52
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid (CID 102568471) is 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(NC2=NCCCC2)cn1.
What is the InChIKey of 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid?
The InChIKey is IHGLAAOGZGNUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(11(16)17)15-7-9(6-13-15)14-10-4-2-3-5-12-10/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid?
2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 102568471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).