3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid

C12H18N2O4 — CID 82320899

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1cc(C)on1
InChIInChI=1S/C12H18N2O4/c1-3-4-5-11(15)14(7-6-12(16)17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyAZDFQULTSATXGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.98
Rot. Bonds7

About 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid

3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid (PubChem CID 82320899) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
PubChem CID82320899
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)c1cc(C)on1
InChIInChI=1S/C12H18N2O4/c1-3-4-5-11(15)14(7-6-12(16)17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyAZDFQULTSATXGA-UHFFFAOYSA-N
XLogP1.98
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic 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

3-[(5-methyl-1,2-oxazol-3-yl)-(pyridine-4-carbonyl)amino]propanoic acid
CID 82321721
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[(2-fluorophenyl)methyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoic acid
CID 82317464
3-(4-ethyl-N-pentanoylanilino)propanoic acid
CID 82320880
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
3-(2,5-dimethoxy-N-pentanoylanilino)propanoic acid
CID 95533535
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
3-(N-octanoylanilino)propanoic acid
CID 60831115
ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
CID 113135711
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid (CID 82320899) is 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid is CCCCC(=O)N(CCC(=O)O)c1cc(C)on1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid?
The InChIKey is AZDFQULTSATXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-4-5-11(15)14(7-6-12(16)17)10-8-9(2)18-13-10/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid?
3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)-pentanoylamino]propanoic acid is sourced from PubChem (CID 82320899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).