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

C7H11N3O4 — CID 106398987

IUPAC2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(O)(CNCc1ncon1)C(=O)O
InChIInChI=1S/C7H11N3O4/c1-7(13,6(11)12)3-8-2-5-9-4-14-10-5/h4,8,13H,2-3H2,1H3,(H,11,12)
InChIKeyXLNCEMPYGXFDND-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.01
Rot. Bonds5

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

2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (PubChem CID 106398987) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
PubChem CID106398987
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(O)(CNCc1ncon1)C(=O)O
InChIInChI=1S/C7H11N3O4/c1-7(13,6(11)12)3-8-2-5-9-4-14-10-5/h4,8,13H,2-3H2,1H3,(H,11,12)
InChIKeyXLNCEMPYGXFDND-UHFFFAOYSA-N
XLogP-1.01
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (CID 106398987) is 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is CC(O)(CNCc1ncon1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The InChIKey is XLNCEMPYGXFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-7(13,6(11)12)3-8-2-5-9-4-14-10-5/h4,8,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid has a molecular weight of 201.18 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 106398987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).