4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid

C14H19NO3 — CID 167283539

IUPAC4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid
SMILESCCN(CCc1ccc(C(=O)O)cc1)C1COC1
InChIInChI=1S/C14H19NO3/c1-2-15(13-9-18-10-13)8-7-11-3-5-12(6-4-11)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17)
InChIKeyYFJOTXIVHRHEHY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds6

About 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid

4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid (PubChem CID 167283539) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid
PubChem CID167283539
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid
SMILESCCN(CCc1ccc(C(=O)O)cc1)C1COC1
InChIInChI=1S/C14H19NO3/c1-2-15(13-9-18-10-13)8-7-11-3-5-12(6-4-11)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17)
InChIKeyYFJOTXIVHRHEHY-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic 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

methyl 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoate
CID 167283570
4-[2-[butan-2-yl(ethyl)amino]ethyl]benzoic acid
CID 167283550
4-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 119179256
ethane;4-propylbenzoic acid
CID 91047964
4-[2-[ethyl(3,3,3-trifluoropropyl)amino]ethyl]benzoic acid
CID 166460992
4-[2-[ethyl(3-methylbutyl)amino]ethyl]benzoic acid
CID 167283540
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[3-[tert-butyl(ethyl)amino]-3-oxopropyl]benzoic acid
CID 82071551
4-[2-(oxan-4-yl)ethyl]benzoic acid
CID 134814520
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
CID 172640803

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid (CID 167283539) is 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid is CCN(CCc1ccc(C(=O)O)cc1)C1COC1.
What is the InChIKey of 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid?
The InChIKey is YFJOTXIVHRHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-15(13-9-18-10-13)8-7-11-3-5-12(6-4-11)14(16)17/h3-6,13H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid?
4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid is sourced from PubChem (CID 167283539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).