3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid

C16H20N2O3 — CID 139519298

IUPAC3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
SMILESCc1[nH]c2cc(N3CCOCC3)ccc2c1CCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-11-13(4-5-16(19)20)14-3-2-12(10-15(14)17-11)18-6-8-21-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,19,20)
InChIKeyTWOSWIJIGWAGTK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds4

About 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid

3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid (PubChem CID 139519298) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
PubChem CID139519298
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid
SMILESCc1[nH]c2cc(N3CCOCC3)ccc2c1CCC(=O)O
InChIInChI=1S/C16H20N2O3/c1-11-13(4-5-16(19)20)14-3-2-12(10-15(14)17-11)18-6-8-21-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,19,20)
InChIKeyTWOSWIJIGWAGTK-UHFFFAOYSA-N
XLogP2.33
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117380858
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
3-amino-4-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)but-1-en-2-ol;ethane
CID 145142320
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
3-(2-methyl-5-phenyl-1H-indol-3-yl)propanoic acid
CID 98035044
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
2-(1,2-dimethyl-6-morpholin-4-yl-4-oxoquinolin-3-yl)acetic acid
CID 82240026
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
CID 38330775
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 4091501
3-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
CID 16832269
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid (CID 139519298) is 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid is Cc1[nH]c2cc(N3CCOCC3)ccc2c1CCC(=O)O.
What is the InChIKey of 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid?
The InChIKey is TWOSWIJIGWAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-13(4-5-16(19)20)14-3-2-12(10-15(14)17-11)18-6-8-21-9-7-18/h2-3,10,17H,4-9H2,1H3,(H,19,20).
What are the key properties of 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid?
3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-morpholin-4-yl-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 139519298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).