(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid

C13H16FNO3 — CID 67352741

IUPAC(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid
SMILESCC[C@]1(c2ccc(F)cc2)CN(C(=O)O)CCO1
InChIInChI=1S/C13H16FNO3/c1-2-13(10-3-5-11(14)6-4-10)9-15(12(16)17)7-8-18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyAKZNWVJHGMRBJE-CYBMUJFWSA-N
MW253.27 g/mol
LogP2.44
Rot. Bonds2

About (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid

(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid (PubChem CID 67352741) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid
PubChem CID67352741
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid
SMILESCC[C@]1(c2ccc(F)cc2)CN(C(=O)O)CCO1
InChIInChI=1S/C13H16FNO3/c1-2-13(10-3-5-11(14)6-4-10)9-15(12(16)17)7-8-18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyAKZNWVJHGMRBJE-CYBMUJFWSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid (CID 67352741) is (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid is CC[C@]1(c2ccc(F)cc2)CN(C(=O)O)CCO1.
What is the InChIKey of (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid?
The InChIKey is AKZNWVJHGMRBJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-13(10-3-5-11(14)6-4-10)9-15(12(16)17)7-8-18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid?
(2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-(4-fluorophenyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 67352741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).