2-(1-ethylazetidin-3-yl)oxyacetic acid

C7H13NO3 — CID 19439176

IUPAC2-(1-ethylazetidin-3-yl)oxyacetic acid
SMILESCCN1CC(OCC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-2-8-3-6(4-8)11-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWQAHRKQXXZNBOE-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.21
Rot. Bonds4

About 2-(1-ethylazetidin-3-yl)oxyacetic acid

2-(1-ethylazetidin-3-yl)oxyacetic acid (PubChem CID 19439176) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(1-ethylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-ethylazetidin-3-yl)oxyacetic acid
PubChem CID19439176
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(1-ethylazetidin-3-yl)oxyacetic acid
SMILESCCN1CC(OCC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-2-8-3-6(4-8)11-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWQAHRKQXXZNBOE-UHFFFAOYSA-N
XLogP-0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((1-Acetylazetidin-3-yl)oxy)acetic acid
CID 84050300
2-[1-(2,2,2-Trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 137480135
2-[1-(1,2,2-Trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 175533813
2-[3-Methyl-1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 102659264
2-[3-Methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid
CID 102659359
2-[1-(3-Fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659379
2-[1-(2-Fluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659451
2-[1-(2,2-Difluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659655
(2R)-2-[2-(dimethylamino)ethoxy]propanoic acid
CID 104875154
2-(1-Tert-butylazetidin-3-yl)oxyacetic acid
CID 19439152
Methyl 3-(azetidin-1-yl)-2-hydroxypropanoate
CID 57453776
(S)-Methyl 3-(azetidin-1-yl)-2-hydroxypropanoate
CID 66813606

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(1-ethylazetidin-3-yl)oxyacetic acid (CID 19439176) is 2-(1-ethylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-ethylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1-ethylazetidin-3-yl)oxyacetic acid is CCN1CC(OCC(=O)O)C1.
What is the InChIKey of 2-(1-ethylazetidin-3-yl)oxyacetic acid?
The InChIKey is WQAHRKQXXZNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-8-3-6(4-8)11-5-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-ethylazetidin-3-yl)oxyacetic acid?
2-(1-ethylazetidin-3-yl)oxyacetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 19439176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).