4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid

C10H11NO3 — CID 117200421

IUPAC4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
SMILESCN1CC(C(=O)O)c2c(O)cccc21
InChIInChI=1S/C10H11NO3/c1-11-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyVTVPPGFTGJBTNU-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.01
Rot. Bonds1

About 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid

4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid (PubChem CID 117200421) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
PubChem CID117200421
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
SMILESCN1CC(C(=O)O)c2c(O)cccc21
InChIInChI=1S/C10H11NO3/c1-11-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeyVTVPPGFTGJBTNU-UHFFFAOYSA-N
XLogP1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
1,4,6-trimethyl-2,3-dihydroindole-3-carboxylic acid
CID 83861050
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200353
4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
CID 162418568
2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 86767718
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200526

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid (CID 117200421) is 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid is CN1CC(C(=O)O)c2c(O)cccc21.
What is the InChIKey of 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is VTVPPGFTGJBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-5-6(10(13)14)9-7(11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid?
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 117200421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).