(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid

C15H18FNO4 — CID 124688847

IUPAC(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
SMILESC[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(8-11-4-2-3-5-12(11)16)14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9H2,1H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyVTUSXGDRGLLYHN-GWCFXTLKSA-N
MW295.31 g/mol
LogP1.32
Rot. Bonds4

About (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid

(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid (PubChem CID 124688847) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
PubChem CID124688847
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
SMILESC[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(8-11-4-2-3-5-12(11)16)14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9H2,1H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyVTUSXGDRGLLYHN-GWCFXTLKSA-N
XLogP1.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110414688
3-(2-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 71857988
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352236
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
N-[[4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 75374460
N-[[(2R)-4-[(2S)-4-(2-fluorophenyl)-2-methylbutanoyl]morpholin-2-yl]methyl]acetamide
CID 97218270
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid (CID 124688847) is (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid is C[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The InChIKey is VTUSXGDRGLLYHN-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(8-11-4-2-3-5-12(11)16)14(18)17-6-7-21-13(9-17)15(19)20/h2-5,10,13H,6-9H2,1H3,(H,19,20)/t10-,13-/m0/s1.
What are the key properties of (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124688847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).