2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid

C15H18FNO5 — CID 125118657

IUPAC2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESC[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C15H18FNO5/c1-10(22-12-4-2-3-11(16)7-12)15(20)17-5-6-21-13(9-17)8-14(18)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyIOAZFZSUBLBGQH-MFKMUULPSA-N
MW311.31 g/mol
LogP1.30
Rot. Bonds5

About 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 125118657) has the molecular formula C15H18FNO5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
PubChem CID125118657
Molecular FormulaC15H18FNO5
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESC[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C15H18FNO5/c1-10(22-12-4-2-3-11(16)7-12)15(20)17-5-6-21-13(9-17)8-14(18)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,19)/t10-,13+/m1/s1
InChIKeyIOAZFZSUBLBGQH-MFKMUULPSA-N
XLogP1.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
(2R)-2-(3-fluorophenoxy)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one
CID 129338960
3-[(3R)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 124695893
2-(3-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119539612
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420759
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
2-[4-[2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 119248827
2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704965
2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid (CID 125118657) is 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid is C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is IOAZFZSUBLBGQH-MFKMUULPSA-N. The full InChI is InChI=1S/C15H18FNO5/c1-10(22-12-4-2-3-11(16)7-12)15(20)17-5-6-21-13(9-17)8-14(18)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,19)/t10-,13+/m1/s1.
What are the key properties of 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 311.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125118657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).