2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C14H23NO4 — CID 102657218

IUPAC2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C14H23NO4/c1-14(19-8-12(16)17)9-15(10-14)13(18)11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyLPWCMKIJQGFWBZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657218) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657218
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2CCCCCC2)C1
InChIInChI=1S/C14H23NO4/c1-14(19-8-12(16)17)9-15(10-14)13(18)11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17)
InChIKeyLPWCMKIJQGFWBZ-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-aminocyclohexanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658225
2-[1-[2-(aminomethyl)cyclohexanecarbonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658176
2-[3-methyl-1-(thiolane-2-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657651
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658307
2-[1-[2-(azetidin-3-yl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658206
2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659390
2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658847
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
CID 102659757
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657218) is 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C2CCCCCC2)C1.
What is the InChIKey of 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is LPWCMKIJQGFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(19-8-12(16)17)9-15(10-14)13(18)11-6-4-2-3-5-7-11/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).