(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid

C16H14FNO4S — CID 124704099

IUPAC(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C16H14FNO4S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)15(19)18-7-8-22-12(9-18)16(20)21/h1-6,12H,7-9H2,(H,20,21)/t12-/m1/s1
InChIKeyPEFDRRUAADMNNB-GFCCVEGCSA-N
MW335.36 g/mol
LogP2.48
Rot. Bonds3

About (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 124704099) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID124704099
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C16H14FNO4S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)15(19)18-7-8-22-12(9-18)16(20)21/h1-6,12H,7-9H2,(H,20,21)/t12-/m1/s1
InChIKeyPEFDRRUAADMNNB-GFCCVEGCSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carbonitrile
CID 95150517
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 81115536
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 125118691
4-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905980
(2R)-4-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]morpholine-2-carboxamide
CID 95697173
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid (CID 124704099) is (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1.
What is the InChIKey of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is PEFDRRUAADMNNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-11-3-1-10(2-4-11)13-5-6-14(23-13)15(19)18-7-8-22-12(9-18)16(20)21/h1-6,12H,7-9H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124704099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).