(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid

C17H20N2O5 — CID 120536282

IUPAC(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1cccc2[nH]cc(CC(=O)N3CC(C(=O)O)O[C@H](C)C3)c12
InChIInChI=1S/C17H20N2O5/c1-10-8-19(9-14(24-10)17(21)22)15(20)6-11-7-18-12-4-3-5-13(23-2)16(11)12/h3-5,7,10,14,18H,6,8-9H2,1-2H3,(H,21,22)/t10-,14?/m1/s1
InChIKeyQXTWRHBGFRBLJY-IAPIXIRKSA-N
MW332.36 g/mol
LogP1.42
Rot. Bonds4

About (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536282) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536282
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCOc1cccc2[nH]cc(CC(=O)N3CC(C(=O)O)O[C@H](C)C3)c12
InChIInChI=1S/C17H20N2O5/c1-10-8-19(9-14(24-10)17(21)22)15(20)6-11-7-18-12-4-3-5-13(23-2)16(11)12/h3-5,7,10,14,18H,6,8-9H2,1-2H3,(H,21,22)/t10-,14?/m1/s1
InChIKeyQXTWRHBGFRBLJY-IAPIXIRKSA-N
XLogP1.42
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-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

(3R,4R)-4-cyclopropyl-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979977
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120689579
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
3-fluoro-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120529779
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
CID 120689588
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
3-ethoxy-1-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699636

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid (CID 120536282) is (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid is COc1cccc2[nH]cc(CC(=O)N3CC(C(=O)O)O[C@H](C)C3)c12.
What is the InChIKey of (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is QXTWRHBGFRBLJY-IAPIXIRKSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10-8-19(9-14(24-10)17(21)22)15(20)6-11-7-18-12-4-3-5-13(23-2)16(11)12/h3-5,7,10,14,18H,6,8-9H2,1-2H3,(H,21,22)/t10-,14?/m1/s1.
What are the key properties of (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).