5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid

C12H15NO4 — CID 174490296

IUPAC5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)CC(C(=O)O)N2
InChIInChI=1S/C12H15NO4/c1-16-4-5-17-9-2-3-10-8(6-9)7-11(13-10)12(14)15/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyKQVHMIAJMAYZOQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.13
Rot. Bonds5

About 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid

5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 174490296) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID174490296
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCOCCOc1ccc2c(c1)CC(C(=O)O)N2
InChIInChI=1S/C12H15NO4/c1-16-4-5-17-9-2-3-10-8(6-9)7-11(13-10)12(14)15/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyKQVHMIAJMAYZOQ-UHFFFAOYSA-N
XLogP1.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid (CID 174490296) is 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid is COCCOc1ccc2c(c1)CC(C(=O)O)N2.
What is the InChIKey of 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is KQVHMIAJMAYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-4-5-17-9-2-3-10-8(6-9)7-11(13-10)12(14)15/h2-3,6,11,13H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid?
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 174490296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).