propan-2-yl 2-(pyridin-4-ylmethoxy)acetate

C11H15NO3 — CID 83213799

IUPACpropan-2-yl 2-(pyridin-4-ylmethoxy)acetate
SMILESCC(C)OC(=O)COCc1ccncc1
InChIInChI=1S/C11H15NO3/c1-9(2)15-11(13)8-14-7-10-3-5-12-6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyWGVPRQHZXQJZKO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.55
Rot. Bonds5

About propan-2-yl 2-(pyridin-4-ylmethoxy)acetate

propan-2-yl 2-(pyridin-4-ylmethoxy)acetate (PubChem CID 83213799) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is propan-2-yl 2-(pyridin-4-ylmethoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(pyridin-4-ylmethoxy)acetate
PubChem CID83213799
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namepropan-2-yl 2-(pyridin-4-ylmethoxy)acetate
SMILESCC(C)OC(=O)COCc1ccncc1
InChIInChI=1S/C11H15NO3/c1-9(2)15-11(13)8-14-7-10-3-5-12-6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKeyWGVPRQHZXQJZKO-UHFFFAOYSA-N
XLogP1.55
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(pyridin-3-ylmethoxy)acetate
CID 83214187
propan-2-yl 4-pyridin-4-ylbutanoate
CID 159454853
propan-2-yl 3-oxo-3-pyridin-4-ylpropanoate
CID 22925238
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
4-(propan-2-yloxymethyl)pyridine
CID 14442204
1-phenyl-2-(pyridin-4-ylmethoxy)ethanone
CID 23312308
methyl (2R)-3-methyl-2-[[2-[[2-(pyridin-4-ylmethoxy)acetyl]amino]acetyl]amino]butanoate
CID 166387014
methyl 2-(pyridin-4-ylmethoxy)propanoate
CID 83213951
ethane;1-O-ethyl 2-O-(pyridin-4-ylmethyl) oxalate
CID 145065639
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
2-methyl-3-(pyridin-4-ylmethoxy)propanenitrile
CID 142227918
propan-2-yl (3S)-4-phenylmethoxy-3-trimethylsilyloxybutanoate
CID 101383246

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(pyridin-4-ylmethoxy)acetate?
The IUPAC name of propan-2-yl 2-(pyridin-4-ylmethoxy)acetate (CID 83213799) is propan-2-yl 2-(pyridin-4-ylmethoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(pyridin-4-ylmethoxy)acetate?
The canonical SMILES for propan-2-yl 2-(pyridin-4-ylmethoxy)acetate is CC(C)OC(=O)COCc1ccncc1.
What is the InChIKey of propan-2-yl 2-(pyridin-4-ylmethoxy)acetate?
The InChIKey is WGVPRQHZXQJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(2)15-11(13)8-14-7-10-3-5-12-6-4-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of propan-2-yl 2-(pyridin-4-ylmethoxy)acetate?
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate has a molecular weight of 209.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(pyridin-4-ylmethoxy)acetate is sourced from PubChem (CID 83213799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).