2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid

C20H21NO5 — CID 129469768

IUPAC2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-19(23)12-17-14-25-11-10-21(17)20(24)16-8-6-15(7-9-16)13-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,23)/t17-/m1/s1
InChIKeyGPPRCBGLFFIYEY-QGZVFWFLSA-N
MW355.39 g/mol
LogP2.58
Rot. Bonds6

About 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid (PubChem CID 129469768) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
PubChem CID129469768
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-19(23)12-17-14-25-11-10-21(17)20(24)16-8-6-15(7-9-16)13-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,23)/t17-/m1/s1
InChIKeyGPPRCBGLFFIYEY-QGZVFWFLSA-N
XLogP2.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
2-[4-[4-(phenoxymethyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210867
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
2-[(3S)-4-(4-pyridin-3-yloxybenzoyl)morpholin-3-yl]acetic acid
CID 129469711
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(4-phenylmethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210082
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
2-[(3R)-4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholin-3-yl]acetic acid
CID 95711799
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid (CID 129469768) is 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid?
The InChIKey is GPPRCBGLFFIYEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO5/c22-19(23)12-17-14-25-11-10-21(17)20(24)16-8-6-15(7-9-16)13-26-18-4-2-1-3-5-18/h1-9,17H,10-14H2,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).