(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid

C17H20N2O5 — CID 125133249

IUPAC(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
SMILESCOCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C17H20N2O5/c1-23-8-6-18-10-13(12-4-2-3-5-14(12)18)16(20)19-7-9-24-11-15(19)17(21)22/h2-5,10,15H,6-9,11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyJCPHTNLHKMGZTD-OAHLLOKOSA-N
MW332.36 g/mol
LogP1.21
Rot. Bonds5

About (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125133249) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID125133249
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
SMILESCOCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C17H20N2O5/c1-23-8-6-18-10-13(12-4-2-3-5-14(12)18)16(20)19-7-9-24-11-15(19)17(21)22/h2-5,10,15H,6-9,11H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyJCPHTNLHKMGZTD-OAHLLOKOSA-N
XLogP1.21
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
1-acetyl-4-[1-(2-methoxyethyl)indole-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 110086030
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324
1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)indole-3-carboxamide
CID 119032779
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
4-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]butanoic acid
CID 119170603
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid (CID 125133249) is (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid is COCCn1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c2ccccc21.
What is the InChIKey of (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is JCPHTNLHKMGZTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-23-8-6-18-10-13(12-4-2-3-5-14(12)18)16(20)19-7-9-24-11-15(19)17(21)22/h2-5,10,15H,6-9,11H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).