methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate

C8H13N3O3 — CID 106399039

IUPACmethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(8(12)13-2)3-9-4-7-10-5-14-11-7/h5-6,9H,3-4H2,1-2H3
InChIKeyCQFBRCLIGCNLFA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.03
Rot. Bonds5

About methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate

methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (PubChem CID 106399039) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
PubChem CID106399039
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(8(12)13-2)3-9-4-7-10-5-14-11-7/h5-6,9H,3-4H2,1-2H3
InChIKeyCQFBRCLIGCNLFA-UHFFFAOYSA-N
XLogP-0.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (CID 106399039) is methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is COC(=O)C(C)CNCc1ncon1.
What is the InChIKey of methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The InChIKey is CQFBRCLIGCNLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(8(12)13-2)3-9-4-7-10-5-14-11-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate has a molecular weight of 199.21 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is sourced from PubChem (CID 106399039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).