3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

C11H16N2O5 — CID 81065180

IUPAC3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NCC(C)CC(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-7(3-11(15)16)5-12-9(14)6-17-10-4-8(2)18-13-10/h4,7H,3,5-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyIYFAIDPABJNMHC-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.59
Rot. Bonds7

About 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (PubChem CID 81065180) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
PubChem CID81065180
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NCC(C)CC(=O)O)no1
InChIInChI=1S/C11H16N2O5/c1-7(3-11(15)16)5-12-9(14)6-17-10-4-8(2)18-13-10/h4,7H,3,5-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyIYFAIDPABJNMHC-UHFFFAOYSA-N
XLogP0.59
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-4-[[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

Related Compounds

N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
CID 61155868
7-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]heptanoic acid
CID 43359027
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
2-[1-[[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164343
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
N-(2,2-difluoro-3-hydroxypropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 113462718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The IUPAC name of 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (CID 81065180) is 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is Cc1cc(OCC(=O)NCC(C)CC(=O)O)no1.
What is the InChIKey of 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The InChIKey is IYFAIDPABJNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7(3-11(15)16)5-12-9(14)6-17-10-4-8(2)18-13-10/h4,7H,3,5-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
3-methyl-4-[[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, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 81065180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).