4-methoxy-5-methyl-1H-indole-2-carboxylic acid

C11H11NO3 — CID 4262975

IUPAC4-methoxy-5-methyl-1H-indole-2-carboxylic acid
SMILESCOc1c(C)ccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-6-3-4-8-7(10(6)15-2)5-9(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyUJBDTQSXJVUFTC-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.18
Rot. Bonds2

About 4-methoxy-5-methyl-1H-indole-2-carboxylic acid

4-methoxy-5-methyl-1H-indole-2-carboxylic acid (PubChem CID 4262975) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-methyl-1H-indole-2-carboxylic acid
PubChem CID4262975
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-methoxy-5-methyl-1H-indole-2-carboxylic acid
SMILESCOc1c(C)ccc2[nH]c(C(=O)O)cc12
InChIInChI=1S/C11H11NO3/c1-6-3-4-8-7(10(6)15-2)5-9(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyUJBDTQSXJVUFTC-UHFFFAOYSA-N
XLogP2.18
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-methyl-1H-indole-2-carboxylic acid
CID 21396319
5-chlorosulfonyl-4-methoxy-1H-indole-2-carboxylic acid
CID 82378257
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117337552
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
3,6-dihydropyrrolo[3,2-e]indole-2-carboxylic acid
CID 54427614
5-amino-4-bromo-1H-indole-2-carboxylic acid
CID 82380856
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
8-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517698
5-amino-4-fluoro-1H-indole-2-carboxylic acid
CID 82401506
4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid
CID 166764984
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 4-methoxy-5-methyl-1H-indole-2-carboxylic acid (CID 4262975) is 4-methoxy-5-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5-methyl-1H-indole-2-carboxylic acid is COc1c(C)ccc2[nH]c(C(=O)O)cc12.
What is the InChIKey of 4-methoxy-5-methyl-1H-indole-2-carboxylic acid?
The InChIKey is UJBDTQSXJVUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-3-4-8-7(10(6)15-2)5-9(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-5-methyl-1H-indole-2-carboxylic acid?
4-methoxy-5-methyl-1H-indole-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4262975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).