lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate

C11H13LiN2O3 — CID 171808777

IUPAClithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
SMILESCOc1cc(N2CC(CC(=O)[O-])C2)ccn1.[Li+]
InChIInChI=1S/C11H14N2O3.Li/c1-16-10-5-9(2-3-12-10)13-6-8(7-13)4-11(14)15;/h2-3,5,8H,4,6-7H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyYPPIZFWLNHYETB-UHFFFAOYSA-M
MW228.18 g/mol
LogP-3.33
Rot. Bonds4

About lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate

lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate (PubChem CID 171808777) has the molecular formula C11H13LiN2O3 and a molecular weight of 228.18 g/mol. Its IUPAC name is lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate.

Molecular Properties

Compound Namelithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
PubChem CID171808777
Molecular FormulaC11H13LiN2O3
Molecular Weight228.18 g/mol
Exact Mass228.11
IUPAC Namelithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
SMILESCOc1cc(N2CC(CC(=O)[O-])C2)ccn1.[Li+]
InChIInChI=1S/C11H14N2O3.Li/c1-16-10-5-9(2-3-12-10)13-6-8(7-13)4-11(14)15;/h2-3,5,8H,4,6-7H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyYPPIZFWLNHYETB-UHFFFAOYSA-M
XLogP-3.33
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate?
The IUPAC name of lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate (CID 171808777) is lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate.
What is the SMILES notation for lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate?
The canonical SMILES for lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate is COc1cc(N2CC(CC(=O)[O-])C2)ccn1.[Li+].
What is the InChIKey of lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate?
The InChIKey is YPPIZFWLNHYETB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O3.Li/c1-16-10-5-9(2-3-12-10)13-6-8(7-13)4-11(14)15;/h2-3,5,8H,4,6-7H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate?
lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate has a molecular weight of 228.18 g/mol, XLogP of -3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate is sourced from PubChem (CID 171808777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).