2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid

C8H11NO3 — CID 115013531

IUPAC2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N1C1CC1
InChIInChI=1S/C8H11NO3/c10-7-3-6(4-8(11)12)9(7)5-1-2-5/h5-6H,1-4H2,(H,11,12)
InChIKeySSUNTKSRZKRIHR-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.22
Rot. Bonds3

About 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid

2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid (PubChem CID 115013531) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
PubChem CID115013531
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(=O)N1C1CC1
InChIInChI=1S/C8H11NO3/c10-7-3-6(4-8(11)12)9(7)5-1-2-5/h5-6H,1-4H2,(H,11,12)
InChIKeySSUNTKSRZKRIHR-UHFFFAOYSA-N
XLogP0.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
CID 115013829
2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
CID 22253735
2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
CID 96613832
ethyl 2-[(2R,5R)-7-oxo-1-azabicyclo[3.2.0]heptan-2-yl]acetate
CID 11735742
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
1-cyclopropyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115013568
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370523
2-(1-cyclobutyl-2,5-dioxopyrrolidin-3-yl)acetic acid
CID 115027264
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608328
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid (CID 115013531) is 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid is O=C(O)CC1CC(=O)N1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid?
The InChIKey is SSUNTKSRZKRIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-3-6(4-8(11)12)9(7)5-1-2-5/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid?
2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid is sourced from PubChem (CID 115013531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).