2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C15H27NO7 — CID 107140978

IUPAC2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCOCCOCCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO7/c1-14(2,3)23-13(19)16-10-15(11-16,9-12(17)18)22-8-7-21-6-5-20-4/h5-11H2,1-4H3,(H,17,18)
InChIKeyISBUTGVPYBUFBT-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.13
Rot. Bonds9

About 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 107140978) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID107140978
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Name2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCOCCOCCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO7/c1-14(2,3)23-13(19)16-10-15(11-16,9-12(17)18)22-8-7-21-6-5-20-4/h5-11H2,1-4H3,(H,17,18)
InChIKeyISBUTGVPYBUFBT-UHFFFAOYSA-N
XLogP1.13
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140750
tert-butyl 4-(iodomethyl)-4-[2-(2-methoxyethoxy)ethoxy]piperidine-1-carboxylate
CID 104969779
2-[3-(2-methylpentoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141011
2-[3-(3-methoxypropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142294
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxyazetidin-3-yl]acetic acid
CID 165457653
2-[3-(2-methoxy-2-oxoethyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141106
tert-butyl 3-(iodomethyl)-3-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773147
tert-butyl 4-(bromomethyl)-4-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773138
2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid
CID 107140977
2-[3-[(2-hydroxy-3-methoxypropyl)amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107142748
2-[3-aminooxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 165448168
2-[3-(4-methylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140716

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 107140978) is 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is COCCOCCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is ISBUTGVPYBUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO7/c1-14(2,3)23-13(19)16-10-15(11-16,9-12(17)18)22-8-7-21-6-5-20-4/h5-11H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 333.38 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methoxyethoxy)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).