3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid

C9H14N4O2 — CID 84677663

IUPAC3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid
SMILESNC(CC(=O)O)c1nnn2c1CCCC2
InChIInChI=1S/C9H14N4O2/c10-6(5-8(14)15)9-7-3-1-2-4-13(7)12-11-9/h6H,1-5,10H2,(H,14,15)
InChIKeyWKEUQYXXBZJHJU-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid

3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 84677663) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID84677663
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid
SMILESNC(CC(=O)O)c1nnn2c1CCCC2
InChIInChI=1S/C9H14N4O2/c10-6(5-8(14)15)9-7-3-1-2-4-13(7)12-11-9/h6H,1-5,10H2,(H,14,15)
InChIKeyWKEUQYXXBZJHJU-UHFFFAOYSA-N
XLogP0.09
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid (CID 84677663) is 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid is NC(CC(=O)O)c1nnn2c1CCCC2.
What is the InChIKey of 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is WKEUQYXXBZJHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6(5-8(14)15)9-7-3-1-2-4-13(7)12-11-9/h6H,1-5,10H2,(H,14,15).
What are the key properties of 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid?
3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 210.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 84677663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).