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

C16H20FNO4 — CID 125153431

IUPAC(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C16H20FNO4/c1-11(5-6-12-3-2-4-13(17)9-12)15(19)18-7-8-22-10-14(18)16(20)21/h2-4,9,11,14H,5-8,10H2,1H3,(H,20,21)/t11-,14-/m0/s1
InChIKeyUOEDHWXPNYNUNO-FZMZJTMJSA-N
MW309.34 g/mol
LogP1.71
Rot. Bonds5

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

(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid (PubChem CID 125153431) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
PubChem CID125153431
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
SMILESC[C@@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C16H20FNO4/c1-11(5-6-12-3-2-4-13(17)9-12)15(19)18-7-8-22-10-14(18)16(20)21/h2-4,9,11,14H,5-8,10H2,1H3,(H,20,21)/t11-,14-/m0/s1
InChIKeyUOEDHWXPNYNUNO-FZMZJTMJSA-N
XLogP1.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[(2R)-2-(3-fluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 125154094
(3S)-4-[(2S)-2-(3-fluorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513571
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119631263
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119434778
1-[2-(aminomethyl)piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119466502
(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
(3S)-4-[(2S)-2-(3-methylphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125153512
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
1-(3-aminopiperidin-1-yl)-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119377577
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119483635

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid (CID 125153431) is (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid is C[C@@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
The InChIKey is UOEDHWXPNYNUNO-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-11(5-6-12-3-2-4-13(17)9-12)15(19)18-7-8-22-10-14(18)16(20)21/h2-4,9,11,14H,5-8,10H2,1H3,(H,20,21)/t11-,14-/m0/s1.
What are the key properties of (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid?
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125153431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).