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

C8H13N3O3 — CID 106399525

IUPAC2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESCC(CNCCc1ncno1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-6(8(12)13)4-9-3-2-7-10-5-11-14-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyIABQQMXFWZFERT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.08
Rot. Bonds6

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

2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (PubChem CID 106399525) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
PubChem CID106399525
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESCC(CNCCc1ncno1)C(=O)O
InChIInChI=1S/C8H13N3O3/c1-6(8(12)13)4-9-3-2-7-10-5-11-14-7/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyIABQQMXFWZFERT-UHFFFAOYSA-N
XLogP-0.08
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide
CID 106400188
3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanoic acid
CID 106401873
3,3,3-Trifluoro-2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]propanoic acid
CID 106419567
3,3,3-Trifluoro-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanoic acid
CID 106419635
tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 54593050
[3-(Carboxyamino)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
CID 66761046
2-(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamic acid
CID 68407720
2-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
CID 68756804
2-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
CID 68965575
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397444
3-nitroso-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106374
3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (CID 106399525) is 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is CC(CNCCc1ncno1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The InChIKey is IABQQMXFWZFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(8(12)13)4-9-3-2-7-10-5-11-14-7/h5-6,9H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106399525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).