7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid

C12H21NO4 — CID 58014306

IUPAC7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
SMILESCOC[C@H]1CC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-17-9-10-8-11(14)13(10)7-5-3-2-4-6-12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyOORLEMZVTHJYIS-SNVBAGLBSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds9

About 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid

7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid (PubChem CID 58014306) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
PubChem CID58014306
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
SMILESCOC[C@H]1CC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C12H21NO4/c1-17-9-10-8-11(14)13(10)7-5-3-2-4-6-12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyOORLEMZVTHJYIS-SNVBAGLBSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(2R)-2-(4-tert-butylphenyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 59207913
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
7-[(2R)-2-ethenyl-5-oxopyrrolidin-1-yl]heptanoic acid
CID 167175811
6-(3-methoxy-5-oxocyclopenten-1-yl)hexanoic acid
CID 54505198
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
7-[(2S)-2-[(3S)-3-hydroxy-4-[3-(2-methoxyethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 11464268
7-[2-oxo-5-(3-oxo-4-phenylbutyl)pyrrolidin-1-yl]heptanoic acid
CID 22394744
10-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)decanoic acid
CID 18790434
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
7-[2-(3-hydroxy-4-methylnon-6-ynyl)-5-oxopyrrolidin-1-yl]heptanoic acid
CID 90425621
7-[(2S)-2-(4-hydroxy-5-thiophen-2-ylpentyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 58751504
7-[(2R)-2-(3-hydroxy-7-sulfanyloctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804803

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid?
The IUPAC name of 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid (CID 58014306) is 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid is COC[C@H]1CC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid?
The InChIKey is OORLEMZVTHJYIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-9-10-8-11(14)13(10)7-5-3-2-4-6-12(15)16/h10H,2-9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid?
7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid is sourced from PubChem (CID 58014306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).