4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid

C17H20FNO4 — CID 119240020

IUPAC4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCO1
InChIInChI=1S/C17H20FNO4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(22)19-9-10-23-14(11-19)15(20)21/h3-6,14H,1-2,7-11H2,(H,20,21)
InChIKeyLYGYHOYWVPOTKI-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.95
Rot. Bonds3

About 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid

4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 119240020) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
PubChem CID119240020
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCO1
InChIInChI=1S/C17H20FNO4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(22)19-9-10-23-14(11-19)15(20)21/h3-6,14H,1-2,7-11H2,(H,20,21)
InChIKeyLYGYHOYWVPOTKI-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
(3R,4R)-4-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979900
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607070

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid (CID 119240020) is 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCO1.
What is the InChIKey of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is LYGYHOYWVPOTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(22)19-9-10-23-14(11-19)15(20)21/h3-6,14H,1-2,7-11H2,(H,20,21).
What are the key properties of 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid?
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 321.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119240020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).