2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid

C5H7N3O3 — CID 43466222

IUPAC2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ncon1
InChIInChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-11-8-4/h3,6H,1-2H2,(H,9,10)
InChIKeySXBOGYYHLVWDQG-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.76
Rot. Bonds4

About 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid

2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid (PubChem CID 43466222) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid
PubChem CID43466222
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ncon1
InChIInChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-11-8-4/h3,6H,1-2H2,(H,9,10)
InChIKeySXBOGYYHLVWDQG-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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Related Compounds

2-[1,2,4-Oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258688
3,3,3-Trifluoro-2-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 79790342
2-[1,2,4-Oxadiazol-3-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114184374
2-[(3-Methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 43466224
1,2,4-Oxadiazol-5-ylmethylcarbamic acid
CID 124138958
2-[Methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43442236
2-(1,2,4-Oxadiazol-5-ylmethylamino)acetic acid
CID 43465804
2-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 43466223
3-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43466754
2-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
2-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
CID 43521948
5-(Methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid?
The IUPAC name of 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid (CID 43466222) is 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid?
The canonical SMILES for 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid is O=C(O)CNCc1ncon1.
What is the InChIKey of 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid?
The InChIKey is SXBOGYYHLVWDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c9-5(10)2-6-1-4-7-3-11-8-4/h3,6H,1-2H2,(H,9,10).
What are the key properties of 2-(1,2,4-oxadiazol-3-ylmethylamino)acetic acid?
2-(1,2,4-oxadiazol-3-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-3-ylmethylamino)acetic acid is sourced from PubChem (CID 43466222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).