2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid

C17H20FNO4 — CID 124702479

IUPAC2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CCO1
InChIInChI=1S/C17H20FNO4/c18-13-4-2-12(3-5-13)17(6-1-7-17)16(22)19-8-9-23-14(11-19)10-15(20)21/h2-5,14H,1,6-11H2,(H,20,21)/t14-/m0/s1
InChIKeyDUWJDVPYJNZIPY-AWEZNQCLSA-N
MW321.35 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid (PubChem CID 124702479) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
PubChem CID124702479
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CCO1
InChIInChI=1S/C17H20FNO4/c18-13-4-2-12(3-5-13)17(6-1-7-17)16(22)19-8-9-23-14(11-19)10-15(20)21/h2-5,14H,1,6-11H2,(H,20,21)/t14-/m0/s1
InChIKeyDUWJDVPYJNZIPY-AWEZNQCLSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607070
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97127856
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 125153681

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid (CID 124702479) is 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CCO1.
What is the InChIKey of 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid?
The InChIKey is DUWJDVPYJNZIPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FNO4/c18-13-4-2-12(3-5-13)17(6-1-7-17)16(22)19-8-9-23-14(11-19)10-15(20)21/h2-5,14H,1,6-11H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid has a molecular weight of 321.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124702479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).