methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate

C8H13N3O3 — CID 106400633

IUPACmethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-13-8(12)3-5-9-4-2-7-10-6-14-11-7/h6,9H,2-5H2,1H3
InChIKeyFZQGLPITVNKRMN-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.24
Rot. Bonds6

About methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate

methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate (PubChem CID 106400633) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
PubChem CID106400633
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-13-8(12)3-5-9-4-2-7-10-6-14-11-7/h6,9H,2-5H2,1H3
InChIKeyFZQGLPITVNKRMN-UHFFFAOYSA-N
XLogP-0.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]propanoic acid
CID 106402008
tert-butyl N-[2-(1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 103678448
3-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43466754
Methyl[2-(1,2,4-oxadiazol-3-yl)ethyl]amine
CID 56828665
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 61712072
Ethyl 3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 61972702
Methyl 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
CID 62010695
Ethyl 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
CID 62010847
Methyl 2-methyl-3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
CID 62012258
Methyl 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoate
CID 62025831
Ethyl 4-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 64578576
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 103677635

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate (CID 106400633) is methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate is COC(=O)CCNCCc1ncon1.
What is the InChIKey of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
The InChIKey is FZQGLPITVNKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-13-8(12)3-5-9-4-2-7-10-6-14-11-7/h6,9H,2-5H2,1H3.
What are the key properties of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate?
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate has a molecular weight of 199.21 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate is sourced from PubChem (CID 106400633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).