4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid

C13H16FNO3 — CID 65067273

IUPAC4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
SMILESCC(c1ccccc1F)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H16FNO3/c1-9(10-4-2-3-5-11(10)14)15-6-7-18-12(8-15)13(16)17/h2-5,9,12H,6-8H2,1H3,(H,16,17)
InChIKeyHXSVUQAMNQJNLE-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.67
Rot. Bonds3

About 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid

4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid (PubChem CID 65067273) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
PubChem CID65067273
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
SMILESCC(c1ccccc1F)N1CCOC(C(=O)O)C1
InChIInChI=1S/C13H16FNO3/c1-9(10-4-2-3-5-11(10)14)15-6-7-18-12(8-15)13(16)17/h2-5,9,12H,6-8H2,1H3,(H,16,17)
InChIKeyHXSVUQAMNQJNLE-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-fluorophenyl)ethyl]morpholine-2-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

4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067562
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227
4-[1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 65067070
(2S)-4-[(1R)-1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 129371945
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
CID 65197311
4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
CID 65067615
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid (CID 65067273) is 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid is CC(c1ccccc1F)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid?
The InChIKey is HXSVUQAMNQJNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(10-4-2-3-5-11(10)14)15-6-7-18-12(8-15)13(16)17/h2-5,9,12H,6-8H2,1H3,(H,16,17).
What are the key properties of 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid?
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65067273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).