5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid

C15H19NO5 — CID 168741031

IUPAC5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)cc(C(=O)O)n2CCOC
InChIInChI=1S/C15H19NO5/c1-19-6-5-16-13-4-3-12(21-8-7-20-2)9-11(13)10-14(16)15(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyLXFBXKSXKXWJHQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.01
Rot. Bonds8

About 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid

5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid (PubChem CID 168741031) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
PubChem CID168741031
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)cc(C(=O)O)n2CCOC
InChIInChI=1S/C15H19NO5/c1-19-6-5-16-13-4-3-12(21-8-7-20-2)9-11(13)10-14(16)15(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyLXFBXKSXKXWJHQ-UHFFFAOYSA-N
XLogP2.01
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-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

methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
CID 166518412
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175931837
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
5-pyrazin-2-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212142
5-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212124
5-pyridin-3-yl-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]indole-2-carboxylic acid
CID 71212145
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
4-[5-(2-methoxyethoxy)-3-methylindol-1-yl]benzoic acid
CID 163625223

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid (CID 168741031) is 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid is COCCOc1ccc2c(c1)cc(C(=O)O)n2CCOC.
What is the InChIKey of 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid?
The InChIKey is LXFBXKSXKXWJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-6-5-16-13-4-3-12(21-8-7-20-2)9-11(13)10-14(16)15(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid?
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid is sourced from PubChem (CID 168741031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).