4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid

C13H16N2O5 — CID 119239609

IUPAC4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCOc1ncccc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H16N2O5/c1-2-19-11-9(4-3-5-14-11)12(16)15-6-7-20-10(8-15)13(17)18/h3-5,10H,2,6-8H2,1H3,(H,17,18)
InChIKeyGEQKOXSLCVIHDA-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.41
Rot. Bonds4

About 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid

4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239609) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239609
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCOc1ncccc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H16N2O5/c1-2-19-11-9(4-3-5-14-11)12(16)15-6-7-20-10(8-15)13(17)18/h3-5,10H,2,6-8H2,1H3,(H,17,18)
InChIKeyGEQKOXSLCVIHDA-UHFFFAOYSA-N
XLogP0.41
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 110112819
4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238984
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 125153617
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
1-(2-ethoxypyridine-3-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 156603768
4-(6-fluoroquinoline-8-carbonyl)morpholine-2-carboxylic acid
CID 120526082
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
(2S)-4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125120497

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid (CID 119239609) is 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid is CCOc1ncccc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is GEQKOXSLCVIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-19-11-9(4-3-5-14-11)12(16)15-6-7-20-10(8-15)13(17)18/h3-5,10H,2,6-8H2,1H3,(H,17,18).
What are the key properties of 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).