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

C15H20N2O3 — CID 64616490

IUPAC2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-11-3-5-13(6-4-11)16-14(18)10-17-8-12(9-17)7-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyDGGFZDJLKBSDFG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds6

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

2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64616490) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64616490
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-11-3-5-13(6-4-11)16-14(18)10-17-8-12(9-17)7-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyDGGFZDJLKBSDFG-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096
2-[1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618096
2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618914
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683844
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64616490) is 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid is CCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is DGGFZDJLKBSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-11-3-5-13(6-4-11)16-14(18)10-17-8-12(9-17)7-15(19)20/h3-6,12H,2,7-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 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]acetic acid is sourced from PubChem (CID 64616490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).