3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

C11H16N2O5 — CID 43354107

IUPAC3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)C(C)C)no1
InChIInChI=1S/C11H16N2O5/c1-6(2)10(11(15)16)12-8(14)5-17-9-4-7(3)18-13-9/h4,6,10H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUHCRSFYEMAKQTQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.59
Rot. Bonds6

About 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (PubChem CID 43354107) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
PubChem CID43354107
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)C(C)C)no1
InChIInChI=1S/C11H16N2O5/c1-6(2)10(11(15)16)12-8(14)5-17-9-4-7(3)18-13-9/h4,6,10H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUHCRSFYEMAKQTQ-UHFFFAOYSA-N
XLogP0.59
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (CID 43354107) is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is Cc1cc(OCC(=O)NC(C(=O)O)C(C)C)no1.
What is the InChIKey of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The InChIKey is UHCRSFYEMAKQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6(2)10(11(15)16)12-8(14)5-17-9-4-7(3)18-13-9/h4,6,10H,5H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 43354107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).