4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

C11H13NO3 — CID 112716859

IUPAC4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCOc1cccc2c1C(C)C(C(=O)O)N2
InChIInChI=1S/C11H13NO3/c1-6-9-7(12-10(6)11(13)14)4-3-5-8(9)15-2/h3-6,10,12H,1-2H3,(H,13,14)
InChIKeyINFFYJQKHKTXQC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.68
Rot. Bonds2

About 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 112716859) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID112716859
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCOc1cccc2c1C(C)C(C(=O)O)N2
InChIInChI=1S/C11H13NO3/c1-6-9-7(12-10(6)11(13)14)4-3-5-8(9)15-2/h3-6,10,12H,1-2H3,(H,13,14)
InChIKeyINFFYJQKHKTXQC-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
CID 82277350
(2E)-2-(4-methoxy-3-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 82079221
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 116811353
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 10268281
2-[(2-methoxyphenyl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115062361
bis(2-cyclopropyl-3-methoxyphenyl)methanone
CID 73011768
2-(2-chloro-6-methoxyphenyl)oxane-3-carboxylic acid
CID 104818912
(3aS,4S,9bR)-6-methoxy-3a,4,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
CID 100810110
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (CID 112716859) is 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is COc1cccc2c1C(C)C(C(=O)O)N2.
What is the InChIKey of 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is INFFYJQKHKTXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-9-7(12-10(6)11(13)14)4-3-5-8(9)15-2/h3-6,10,12H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 112716859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).