4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid

C14H18FNO3 — CID 124606773

IUPAC4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO3/c15-12-4-1-3-11(9-12)13-10-16(7-8-19-13)6-2-5-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeyYWASYUSBDRKBSY-CYBMUJFWSA-N
MW267.30 g/mol
LogP2.06
Rot. Bonds5

About 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid

4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid (PubChem CID 124606773) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
PubChem CID124606773
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CCO[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO3/c15-12-4-1-3-11(9-12)13-10-16(7-8-19-13)6-2-5-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18)/t13-/m1/s1
InChIKeyYWASYUSBDRKBSY-CYBMUJFWSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 138003841
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid?
The IUPAC name of 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid (CID 124606773) is 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid is O=C(O)CCCN1CCO[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid?
The InChIKey is YWASYUSBDRKBSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-4-1-3-11(9-12)13-10-16(7-8-19-13)6-2-5-14(17)18/h1,3-4,9,13H,2,5-8,10H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid?
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid is sourced from PubChem (CID 124606773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).