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

C7H11N3O3 — CID 106399859

IUPAC3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESO=C(O)CCNCCc1ncno1
InChIInChI=1S/C7H11N3O3/c11-7(12)2-4-8-3-1-6-9-5-10-13-6/h5,8H,1-4H2,(H,11,12)
InChIKeyHVEGRMNZNSQRQS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.32
Rot. Bonds6

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

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (PubChem CID 106399859) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
PubChem CID106399859
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESO=C(O)CCNCCc1ncno1
InChIInChI=1S/C7H11N3O3/c11-7(12)2-4-8-3-1-6-9-5-10-13-6/h5,8H,1-4H2,(H,11,12)
InChIKeyHVEGRMNZNSQRQS-UHFFFAOYSA-N
XLogP-0.32
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.32
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

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946
3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106400034
3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanoic acid
CID 106401873
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 107168098
2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
CID 68963475
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
CID 89157227

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (CID 106399859) is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is O=C(O)CCNCCc1ncno1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The InChIKey is HVEGRMNZNSQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-7(12)2-4-8-3-1-6-9-5-10-13-6/h5,8H,1-4H2,(H,11,12).
What are the key properties of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106399859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).