2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid

C14H15F2NO4 — CID 124517152

IUPAC2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C14H15F2NO4/c15-11-3-1-2-9(14(11)16)6-12(18)17-4-5-21-10(8-17)7-13(19)20/h1-3,10H,4-8H2,(H,19,20)/t10-/m0/s1
InChIKeyLFPREFUJQDDLKC-JTQLQIEISA-N
MW299.27 g/mol
LogP1.21
Rot. Bonds4

About 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 124517152) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID124517152
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1
InChIInChI=1S/C14H15F2NO4/c15-11-3-1-2-9(14(11)16)6-12(18)17-4-5-21-10(8-17)7-13(19)20/h1-3,10H,4-8H2,(H,19,20)/t10-/m0/s1
InChIKeyLFPREFUJQDDLKC-JTQLQIEISA-N
XLogP1.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
(3S)-1-[2-(2,3-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81126045
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
CID 126794392

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid (CID 124517152) is 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is LFPREFUJQDDLKC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-11-3-1-2-9(14(11)16)6-12(18)17-4-5-21-10(8-17)7-13(19)20/h1-3,10H,4-8H2,(H,19,20)/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 299.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124517152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).