3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid

C14H22N2O5 — CID 119208391

IUPAC3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)Cc1ccon1
InChIInChI=1S/C14H22N2O5/c1-3-20-7-4-6-16(10-11(2)14(18)19)13(17)9-12-5-8-21-15-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeySLIQCLRQZMULKC-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.19
Rot. Bonds10

About 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid

3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 119208391) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID119208391
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)Cc1ccon1
InChIInChI=1S/C14H22N2O5/c1-3-20-7-4-6-16(10-11(2)14(18)19)13(17)9-12-5-8-21-15-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeySLIQCLRQZMULKC-UHFFFAOYSA-N
XLogP1.19
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-methylpropanoic acid
CID 119208406
3-[acetyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82323212
3-[3-ethoxypropyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 82325749
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280
3-[3-ethoxypropyl-(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208459
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296
3-[(5-chloropyridine-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520331
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
3-[3-ethoxypropyl-(1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208607
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 119208391) is 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)Cc1ccon1.
What is the InChIKey of 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is SLIQCLRQZMULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-20-7-4-6-16(10-11(2)14(18)19)13(17)9-12-5-8-21-15-12/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 298.34 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl-[2-(1,2-oxazol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119208391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).