2-(2-oxoazetidin-1-yl)-2-phenylacetic acid

C11H11NO3 — CID 156875681

IUPAC2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC1=O
InChIInChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15)
InChIKeyVHYPISIYQNOBKP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid

2-(2-oxoazetidin-1-yl)-2-phenylacetic acid (PubChem CID 156875681) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
PubChem CID156875681
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC1=O
InChIInChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15)
InChIKeyVHYPISIYQNOBKP-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylidene-2-oxopiperidin-1-yl)-2-phenylacetic acid
CID 12698989
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
CID 67904811
2-(2-oxoazetidin-1-yl)-4-phenylbut-3-enoic acid
CID 70098226
N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
CID 3489886
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid (CID 156875681) is 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
The InChIKey is VHYPISIYQNOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-6-7-12(9)10(11(14)15)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,14,15).
What are the key properties of 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid?
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 156875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).