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

C8H13N3O4 — CID 106398568

IUPACmethyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCc1ncon1
InChIInChI=1S/C8H13N3O4/c1-8(13,7(12)14-2)4-9-3-6-10-5-15-11-6/h5,9,13H,3-4H2,1-2H3
InChIKeyQFXHAMVHJPSBBU-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.92
Rot. Bonds5

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

methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (PubChem CID 106398568) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
PubChem CID106398568
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(O)CNCc1ncon1
InChIInChI=1S/C8H13N3O4/c1-8(13,7(12)14-2)4-9-3-6-10-5-15-11-6/h5,9,13H,3-4H2,1-2H3
InChIKeyQFXHAMVHJPSBBU-UHFFFAOYSA-N
XLogP-0.92
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-Methyl-1-(1,2,4-oxadiazol-3-ylmethyl)azetidin-3-yl]oxyacetic acid
CID 102659645
2-Hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
CID 104644063
Methyl 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoate
CID 104644064
Methyl 2-hydroxy-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 106397891
2-Hydroxy-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 106398248
Methyl 2,2-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106398664
2-Hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398987
Methyl 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106399039
2,2-Dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106399128
Methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399515
Methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400400
2-hydroxy-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106400404

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate (CID 106398568) is methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is COC(=O)C(C)(O)CNCc1ncon1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
The InChIKey is QFXHAMVHJPSBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-8(13,7(12)14-2)4-9-3-6-10-5-15-11-6/h5,9,13H,3-4H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate has a molecular weight of 215.21 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate is sourced from PubChem (CID 106398568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).