2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid

C15H19NO4 — CID 19933355

IUPAC2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
SMILESCC(OCc1ccccc1)C1C(=O)NC1C(C)C(=O)O
InChIInChI=1S/C15H19NO4/c1-9(15(18)19)13-12(14(17)16-13)10(2)20-8-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWWOKHEUZFPUVGO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid

2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid (PubChem CID 19933355) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
PubChem CID19933355
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
SMILESCC(OCc1ccccc1)C1C(=O)NC1C(C)C(=O)O
InChIInChI=1S/C15H19NO4/c1-9(15(18)19)13-12(14(17)16-13)10(2)20-8-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWWOKHEUZFPUVGO-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-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

benzyl [(1R)-1-[(2S,3S)-2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl] carbonate
CID 70460094
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
CID 11775681
5,5-dimethyl-2-(1-phenylmethoxyethyl)-1,3-dioxane
CID 67722972
benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
CID 13471581
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
2-phenylmethoxybutanoic acid
CID 11816388
2-amino-3-phenylmethoxybutanoic acid;hydrochloride
CID 53434211
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
3-hydroxy-5-(1-phenylmethoxyethyl)cyclohex-2-en-1-one
CID 144636079

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid?
The IUPAC name of 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid (CID 19933355) is 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid.
What is the SMILES notation for 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid?
The canonical SMILES for 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid is CC(OCc1ccccc1)C1C(=O)NC1C(C)C(=O)O.
What is the InChIKey of 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid?
The InChIKey is WWOKHEUZFPUVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(15(18)19)13-12(14(17)16-13)10(2)20-8-11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid?
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid is sourced from PubChem (CID 19933355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).