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

C9H15N3O3 — CID 106400593

IUPACmethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(5-9(13)14-2)10-4-3-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyQPONHTNGBIMWLX-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.15
Rot. Bonds6

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

methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate (PubChem CID 106400593) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
PubChem CID106400593
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCc1ncon1
InChIInChI=1S/C9H15N3O3/c1-7(5-9(13)14-2)10-4-3-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3
InChIKeyQPONHTNGBIMWLX-UHFFFAOYSA-N
XLogP0.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
methyl 3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 103952281
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106402019
N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401243
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The IUPAC name of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate (CID 106400593) is methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The canonical SMILES for methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate is COC(=O)CC(C)NCCc1ncon1.
What is the InChIKey of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
The InChIKey is QPONHTNGBIMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-7(5-9(13)14-2)10-4-3-8-11-6-15-12-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate?
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate has a molecular weight of 213.24 g/mol, XLogP of 0.15, 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]butanoate is sourced from PubChem (CID 106400593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).