ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate

C12H17NO3 — CID 143887613

IUPACethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
SMILESCCCc1ccnc(OCC(=O)OCC)c1
InChIInChI=1S/C12H17NO3/c1-3-5-10-6-7-13-11(8-10)16-9-12(14)15-4-2/h6-8H,3-5,9H2,1-2H3
InChIKeyNTFSNCWHNYUTIV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate

ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate (PubChem CID 143887613) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
PubChem CID143887613
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
SMILESCCCc1ccnc(OCC(=O)OCC)c1
InChIInChI=1S/C12H17NO3/c1-3-5-10-6-7-13-11(8-10)16-9-12(14)15-4-2/h6-8H,3-5,9H2,1-2H3
InChIKeyNTFSNCWHNYUTIV-UHFFFAOYSA-N
XLogP1.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-methyl-4-propylphenoxy)acetate
CID 134426346
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
1-(4-propyl-2-pyridinyl)ethanone
CID 23003444
2-methyl-4-propylpyridine
CID 3358679
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
ethyl (2S)-2-[[4-(bromomethyl)-2-pyridinyl]oxy]propanoate
CID 86732635
3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
CID 58846560
2-(2-ethoxy-4-pyridinyl)-N-methylethanamine
CID 83875505
ethyl 2-[(4-ethyl-2-pyridinyl)oxy]-2-methylpropanoate
CID 154931055
ethyl 2-(2,5-dimethyl-4-propylphenoxy)acetate
CID 143220496
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate?
The IUPAC name of ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate (CID 143887613) is ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate.
What is the SMILES notation for ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate?
The canonical SMILES for ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate is CCCc1ccnc(OCC(=O)OCC)c1.
What is the InChIKey of ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate?
The InChIKey is NTFSNCWHNYUTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-5-10-6-7-13-11(8-10)16-9-12(14)15-4-2/h6-8H,3-5,9H2,1-2H3.
What are the key properties of ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate?
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 143887613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).