2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid

C8H13N3O4 — CID 104644063

IUPAC2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
SMILESCc1noc(CNCC(C)(O)C(=O)O)n1
InChIInChI=1S/C8H13N3O4/c1-5-10-6(15-11-5)3-9-4-8(2,14)7(12)13/h9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyDLLZNIIFJSEJQO-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.70
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid

2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid (PubChem CID 104644063) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
PubChem CID104644063
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
SMILESCc1noc(CNCC(C)(O)C(=O)O)n1
InChIInChI=1S/C8H13N3O4/c1-5-10-6(15-11-5)3-9-4-8(2,14)7(12)13/h9,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyDLLZNIIFJSEJQO-UHFFFAOYSA-N
XLogP-0.70
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.70
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid (CID 104644063) is 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid is Cc1noc(CNCC(C)(O)C(=O)O)n1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid?
The InChIKey is DLLZNIIFJSEJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-5-10-6(15-11-5)3-9-4-8(2,14)7(12)13/h9,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid has a molecular weight of 215.21 g/mol, XLogP of -0.70, 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 104644063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).