2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid

C11H13NO2 — CID 19098514

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid
SMILESCN1CCc2cc(CC(=O)O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-5-4-9-6-8(7-11(13)14)2-3-10(9)12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyJUGJHCIHYRBATA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.31
Rot. Bonds2

About 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid

2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid (PubChem CID 19098514) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid
PubChem CID19098514
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid
SMILESCN1CCc2cc(CC(=O)O)ccc21
InChIInChI=1S/C11H13NO2/c1-12-5-4-9-6-8(7-11(13)14)2-3-10(9)12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyJUGJHCIHYRBATA-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328540
Acetic acid, 4-piperidinophenyl-
CID 38363
Methyl(4-piperidinophenyl)acetic acid
CID 213515
1-acetyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 5295547
4-N,N-dimethylaminophenylacetic acid
CID 152203
4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328544
2-(4-(Dimethylamino)phenyl)succinic acid
CID 4670834
2-[1-[(2,6-Dimethylphenyl)methyl]-2,3-dihydroindol-6-yl]acetic acid
CID 60152010
(3-RS)-2-[1-(2,6-dimethylbenzyl)-2,3-dihydro-3-methyl-1H-indole-6-yl]acetic acid
CID 60152011
Acetic acid, 2-(p-(isopropylamino)phenyl)-
CID 34048
Acetic acid, 2-(p-(allylamino)phenyl)-
CID 38316
Acetic acid, 2-(p-(ethylamino)phenyl)-
CID 38317

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid (CID 19098514) is 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid is CN1CCc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid?
The InChIKey is JUGJHCIHYRBATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-5-4-9-6-8(7-11(13)14)2-3-10(9)12/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid?
2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)acetic acid is sourced from PubChem (CID 19098514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).