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

C10H19NO3 — CID 79689413

IUPAC2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid
SMILESCC(C)C1CN(CCOCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(2)9-5-11(6-9)3-4-14-7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyPZDOKRMIPGGODX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds6

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

2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid (PubChem CID 79689413) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid
PubChem CID79689413
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid
SMILESCC(C)C1CN(CCOCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8(2)9-5-11(6-9)3-4-14-7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyPZDOKRMIPGGODX-UHFFFAOYSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid (CID 79689413) is 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid is CC(C)C1CN(CCOCC(=O)O)C1.
What is the InChIKey of 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid?
The InChIKey is PZDOKRMIPGGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)9-5-11(6-9)3-4-14-7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid?
2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylazetidin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 79689413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).