2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid

C17H19N3O4 — CID 124941248

IUPAC2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C17H19N3O4/c21-17(22)12-24-15-4-2-1-3-13(15)10-20-7-8-23-16(11-20)14-9-18-5-6-19-14/h1-6,9,16H,7-8,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeyALUBWCTXIYQPII-INIZCTEOSA-N
MW329.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid

2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid (PubChem CID 124941248) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
PubChem CID124941248
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CN1CCO[C@H](c2cnccn2)C1
InChIInChI=1S/C17H19N3O4/c21-17(22)12-24-15-4-2-1-3-13(15)10-20-7-8-23-16(11-20)14-9-18-5-6-19-14/h1-6,9,16H,7-8,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeyALUBWCTXIYQPII-INIZCTEOSA-N
XLogP1.51
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 157017908
2-[2-[[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]methyl]phenoxy]acetic acid
CID 137052957
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid (CID 124941248) is 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CN1CCO[C@H](c2cnccn2)C1.
What is the InChIKey of 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The InChIKey is ALUBWCTXIYQPII-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-17(22)12-24-15-4-2-1-3-13(15)10-20-7-8-23-16(11-20)14-9-18-5-6-19-14/h1-6,9,16H,7-8,10-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid?
2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 124941248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).