(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid

C17H20FNO5 — CID 125150565

IUPAC(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCO1
InChIInChI=1S/C17H20FNO5/c18-13-3-1-2-12(10-13)17(4-7-23-8-5-17)16(22)19-6-9-24-14(11-19)15(20)21/h1-3,10,14H,4-9,11H2,(H,20,21)/t14-/m1/s1
InChIKeyDYXLWKJLIOTOJT-CQSZACIVSA-N
MW337.35 g/mol
LogP1.19
Rot. Bonds3

About (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125150565) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID125150565
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Name(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCO1
InChIInChI=1S/C17H20FNO5/c18-13-3-1-2-12(10-13)17(4-7-23-8-5-17)16(22)19-6-9-24-14(11-19)15(20)21/h1-3,10,14H,4-9,11H2,(H,20,21)/t14-/m1/s1
InChIKeyDYXLWKJLIOTOJT-CQSZACIVSA-N
XLogP1.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 124589559
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120658609
[4-(3-fluorophenyl)oxan-4-yl]-[(3R,4R)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methanone
CID 126797777
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120749541
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97077235
[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97077217

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid (CID 125150565) is (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCO1.
What is the InChIKey of (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is DYXLWKJLIOTOJT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FNO5/c18-13-3-1-2-12(10-13)17(4-7-23-8-5-17)16(22)19-6-9-24-14(11-19)15(20)21/h1-3,10,14H,4-9,11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125150565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).