5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C10H16N2O4 — CID 103264279

IUPAC5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)C(O)CNCc1cc(C(=O)O)no1
InChIInChI=1S/C10H16N2O4/c1-6(2)9(13)5-11-4-7-3-8(10(14)15)12-16-7/h3,6,9,11,13H,4-5H2,1-2H3,(H,14,15)
InChIKeyFXJMBPSFLQXNAS-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.48
Rot. Bonds6

About 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103264279) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103264279
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)C(O)CNCc1cc(C(=O)O)no1
InChIInChI=1S/C10H16N2O4/c1-6(2)9(13)5-11-4-7-3-8(10(14)15)12-16-7/h3,6,9,11,13H,4-5H2,1-2H3,(H,14,15)
InChIKeyFXJMBPSFLQXNAS-UHFFFAOYSA-N
XLogP0.48
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103264279) is 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CC(C)C(O)CNCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FXJMBPSFLQXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(2)9(13)5-11-4-7-3-8(10(14)15)12-16-7/h3,6,9,11,13H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103264279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).