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

C16H22N2O3 — CID 116683929

IUPAC2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-14(11(2)6-10)17-15(19)9-18-7-13(8-18)12(3)16(20)21/h4-6,12-13H,7-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNBBPCGYOJNZFGB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.89
Rot. Bonds5

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

2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid (PubChem CID 116683929) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
PubChem CID116683929
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-14(11(2)6-10)17-15(19)9-18-7-13(8-18)12(3)16(20)21/h4-6,12-13H,7-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNBBPCGYOJNZFGB-UHFFFAOYSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(2,4-dimethylanilino)-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

N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
(3S,4S)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954423
2-[1-[(2,4-dimethylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684546
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683844
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid (CID 116683929) is 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid is Cc1ccc(NC(=O)CN2CC(C(C)C(=O)O)C2)c(C)c1.
What is the InChIKey of 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
The InChIKey is NBBPCGYOJNZFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-5-14(11(2)6-10)17-15(19)9-18-7-13(8-18)12(3)16(20)21/h4-6,12-13H,7-9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).