2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid

C12H13NO3 — CID 167685372

IUPAC2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
SMILESCN1C(=O)[C@](C)(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-12(7-10(14)15)8-5-3-4-6-9(8)13(2)11(12)16/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyWDDTWYVIYBICKR-GFCCVEGCSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds2

About 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid

2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid (PubChem CID 167685372) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
PubChem CID167685372
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
SMILESCN1C(=O)[C@](C)(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H13NO3/c1-12(7-10(14)15)8-5-3-4-6-9(8)13(2)11(12)16/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyWDDTWYVIYBICKR-GFCCVEGCSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,3-dimethylindol-2-one
CID 102369022
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
2-[1-methyl-3-(N-methylanilino)-2-oxoindol-3-yl]acetic acid
CID 15317187
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-acetyl-1,3-dimethylindol-2-one
CID 71513470

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid (CID 167685372) is 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid is CN1C(=O)[C@](C)(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid?
The InChIKey is WDDTWYVIYBICKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13NO3/c1-12(7-10(14)15)8-5-3-4-6-9(8)13(2)11(12)16/h3-6H,7H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid?
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 167685372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).