(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid

C17H22FN3O3 — CID 159281127

IUPAC(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid
SMILESO=C(O)[C@@H](CC1=Nc2ccc(F)cc2C1)NCCN1CCOCC1
InChIInChI=1S/C17H22FN3O3/c18-13-1-2-15-12(9-13)10-14(20-15)11-16(17(22)23)19-3-4-21-5-7-24-8-6-21/h1-2,9,16,19H,3-8,10-11H2,(H,22,23)/t16-/m1/s1
InChIKeyRLSFMZIWYAOVGO-MRXNPFEDSA-N
MW335.38 g/mol
LogP1.22
Rot. Bonds7

About (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid

(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid (PubChem CID 159281127) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid
PubChem CID159281127
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid
SMILESO=C(O)[C@@H](CC1=Nc2ccc(F)cc2C1)NCCN1CCOCC1
InChIInChI=1S/C17H22FN3O3/c18-13-1-2-15-12(9-13)10-14(20-15)11-16(17(22)23)19-3-4-21-5-7-24-8-6-21/h1-2,9,16,19H,3-8,10-11H2,(H,22,23)/t16-/m1/s1
InChIKeyRLSFMZIWYAOVGO-MRXNPFEDSA-N
XLogP1.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid?
The IUPAC name of (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid (CID 159281127) is (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid?
The canonical SMILES for (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid is O=C(O)[C@@H](CC1=Nc2ccc(F)cc2C1)NCCN1CCOCC1.
What is the InChIKey of (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid?
The InChIKey is RLSFMZIWYAOVGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-1-2-15-12(9-13)10-14(20-15)11-16(17(22)23)19-3-4-21-5-7-24-8-6-21/h1-2,9,16,19H,3-8,10-11H2,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid?
(2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid has a molecular weight of 335.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-fluoro-3H-indol-2-yl)-2-(2-morpholin-4-ylethylamino)propanoic acid is sourced from PubChem (CID 159281127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).