2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid

C16H22N2O3 — CID 64616096

IUPAC2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
SMILESCCCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-12-4-6-14(7-5-12)17-15(19)11-18-9-13(10-18)8-16(20)21/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDWLPUKXHGSRIOE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds7

About 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid

2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid (PubChem CID 64616096) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
PubChem CID64616096
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
SMILESCCCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-12-4-6-14(7-5-12)17-15(19)11-18-9-13(10-18)8-16(20)21/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyDWLPUKXHGSRIOE-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616490
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-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
CID 62654217
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
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-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid (CID 64616096) is 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid is CCCc1ccc(NC(=O)CN2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid?
The InChIKey is DWLPUKXHGSRIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-12-4-6-14(7-5-12)17-15(19)11-18-9-13(10-18)8-16(20)21/h4-7,13H,2-3,8-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid?
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).