2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid

C7H11N3O3 — CID 106415961

IUPAC2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESCc1nc(CCNCC(=O)O)no1
InChIInChI=1S/C7H11N3O3/c1-5-9-6(10-13-5)2-3-8-4-7(11)12/h8H,2-4H2,1H3,(H,11,12)
InChIKeyDWBVFKOOINTPAS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.41
Rot. Bonds5

About 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid

2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (PubChem CID 106415961) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
PubChem CID106415961
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
SMILESCc1nc(CCNCC(=O)O)no1
InChIInChI=1S/C7H11N3O3/c1-5-9-6(10-13-5)2-3-8-4-7(11)12/h8H,2-4H2,1H3,(H,11,12)
InChIKeyDWBVFKOOINTPAS-UHFFFAOYSA-N
XLogP-0.41
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]butanoic acid
CID 114185894
ethyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 103714527
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031
methyl 2-bromo-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106419608
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
3-[cyclopropyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420257
5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 114186494
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
1-methyl-5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]pyrazole-4-carboxylic acid
CID 106416280
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid (CID 106415961) is 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is Cc1nc(CCNCC(=O)O)no1.
What is the InChIKey of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
The InChIKey is DWBVFKOOINTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5-9-6(10-13-5)2-3-8-4-7(11)12/h8H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid?
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid is sourced from PubChem (CID 106415961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).