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

C13H22N2O6 — CID 102659123

IUPAC2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC1(CNC(=O)N2CC(C)(OCC(=O)O)C2)CCOC1
InChIInChI=1S/C13H22N2O6/c1-12(21-5-10(16)17)7-15(8-12)11(18)14-6-13(19-2)3-4-20-9-13/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXRCJQKKEWMTADK-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.32
Rot. Bonds6

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

2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659123) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659123
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC1(CNC(=O)N2CC(C)(OCC(=O)O)C2)CCOC1
InChIInChI=1S/C13H22N2O6/c1-12(21-5-10(16)17)7-15(8-12)11(18)14-6-13(19-2)3-4-20-9-13/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXRCJQKKEWMTADK-UHFFFAOYSA-N
XLogP-0.32
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(Oxolan-3-ylmethylcarbamoylamino)ethoxy]acetic acid
CID 79463848
2-[2-[[3-(Methoxymethyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 79463858
2-[3-Methyl-1-(oxolan-3-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102657669
2-[3-Methyl-1-(propan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102657679
2-[3-Methyl-1-(propylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102657693
2-[1-(Ethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657694
2-[3-Methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102657699
2-[1-(Butylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657701
2-[3-Methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447
2-[1-(2-Methoxyethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658451
2-[1-(Butan-2-ylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658452
2-[3-Methyl-1-(2-methylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658453

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659123) is 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is COC1(CNC(=O)N2CC(C)(OCC(=O)O)C2)CCOC1.
What is the InChIKey of 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is XRCJQKKEWMTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-12(21-5-10(16)17)7-15(8-12)11(18)14-6-13(19-2)3-4-20-9-13/h3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 302.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).