2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid

C20H26N2O5 — CID 119248844

IUPAC2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21
InChIInChI=1S/C20H26N2O5/c1-13-14(2)22(7-8-26-3)18-5-4-15(10-17(13)18)20(25)21-6-9-27-16(12-21)11-19(23)24/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,23,24)
InChIKeyRWPIPBLTXVKGFY-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119248844) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119248844
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
SMILESCOCCn1c(C)c(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21
InChIInChI=1S/C20H26N2O5/c1-13-14(2)22(7-8-26-3)18-5-4-15(10-17(13)18)20(25)21-6-9-27-16(12-21)11-19(23)24/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,23,24)
InChIKeyRWPIPBLTXVKGFY-UHFFFAOYSA-N
XLogP2.22
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic 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

(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
1-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691158
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[cyclopropyl-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]amino]propanoic acid
CID 119203397
2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 97324649
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indole-5-carboxylic acid
CID 65162686
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid (CID 119248844) is 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid is COCCn1c(C)c(C)c2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21.
What is the InChIKey of 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is RWPIPBLTXVKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-14(2)22(7-8-26-3)18-5-4-15(10-17(13)18)20(25)21-6-9-27-16(12-21)11-19(23)24/h4-5,10,16H,6-9,11-12H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).