2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid

C16H22N2O3 — CID 116683844

IUPAC2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-4-6-14(7-5-12)17-15(19)10-18-8-13(9-18)11(2)16(20)21/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBFOJSPQGMLOGAO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds6

About 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid

2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid (PubChem CID 116683844) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
PubChem CID116683844
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-12-4-6-14(7-5-12)17-15(19)10-18-8-13(9-18)11(2)16(20)21/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyBFOJSPQGMLOGAO-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]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

2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616490
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[1-[2-(3-iodoanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684262
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171998342
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
CID 177160364
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681101
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid (CID 116683844) is 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid is CCc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The InChIKey is BFOJSPQGMLOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-4-6-14(7-5-12)17-15(19)10-18-8-13(9-18)11(2)16(20)21/h4-7,11,13H,3,8-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).