2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid

C9H17NO3 — CID 79688962

IUPAC2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid
SMILESCCC1CN(CCOCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-2-8-5-10(6-8)3-4-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyBJKAONMKYDPOLS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.43
Rot. Bonds6

About 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid

2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid (PubChem CID 79688962) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid
PubChem CID79688962
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid
SMILESCCC1CN(CCOCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-2-8-5-10(6-8)3-4-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyBJKAONMKYDPOLS-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.43
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

2-[3-Methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid
CID 102659292
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-Tert-butylazetidin-3-yl)oxyacetic acid
CID 19439152
2-(1-Ethylazetidin-3-yl)oxyacetic acid
CID 19439176
2-[2-[Methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
2-[2-[Bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61328647
2-[2-[2-[methyl-[(2S)-2-methylhexyl]amino]ethoxy]ethoxy]acetic acid
CID 118213906
Ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid
CID 142151828
Ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 144897395
2-[2-[Methyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61328602
2-[2-[Ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid (CID 79688962) is 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid is CCC1CN(CCOCC(=O)O)C1.
What is the InChIKey of 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid?
The InChIKey is BJKAONMKYDPOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8-5-10(6-8)3-4-13-7-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid?
2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylazetidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 79688962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).