2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid

C5H7N3O3 — CID 43465804

IUPAC2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ncno1
InChIInChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-8-11-4/h3,6H,1-2H2,(H,9,10)
InChIKeyNOQQZABIVAJDCZ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.76
Rot. Bonds4

About 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid

2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid (PubChem CID 43465804) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid
PubChem CID43465804
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ncno1
InChIInChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-8-11-4/h3,6H,1-2H2,(H,9,10)
InChIKeyNOQQZABIVAJDCZ-UHFFFAOYSA-N
XLogP-0.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid?
The IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid (CID 43465804) is 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid is O=C(O)CNCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid?
The InChIKey is NOQQZABIVAJDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-8-11-4/h3,6H,1-2H2,(H,9,10).
What are the key properties of 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid?
2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid has a molecular weight of 157.13 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-ylmethylamino)acetic acid is sourced from PubChem (CID 43465804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).