(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid

C11H11NO3 — CID 98586131

IUPAC(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
SMILESC[C@@H]1C(=O)N(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C11H11NO3/c1-6-8-5-7(11(14)15)3-4-9(8)12(2)10(6)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyNVKUVMRZPCVUDR-LURJTMIESA-N
MW205.21 g/mol
LogP1.46
Rot. Bonds1

About (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid

(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 98586131) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
PubChem CID98586131
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
SMILESC[C@@H]1C(=O)N(C)c2ccc(C(=O)O)cc21
InChIInChI=1S/C11H11NO3/c1-6-8-5-7(11(14)15)3-4-9(8)12(2)10(6)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1
InChIKeyNVKUVMRZPCVUDR-LURJTMIESA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate
CID 117406951
(1,3-dimethyl-2-oxo-3H-indol-5-yl) acetate
CID 10867765
2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
CID 115003473
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 84775817
6-hydroxy-1,3-dimethyl-3H-indol-2-one
CID 19692931
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
1-benzyl-3-methyl-2-oxo-3H-indole-6-carboxylic acid
CID 151920961
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-4-iodobenzoic acid
CID 112750110
3-amino-4-(3-methylazetidin-1-yl)benzoic acid
CID 79688779

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid (CID 98586131) is (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid is C[C@@H]1C(=O)N(C)c2ccc(C(=O)O)cc21.
What is the InChIKey of (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is NVKUVMRZPCVUDR-LURJTMIESA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-8-5-7(11(14)15)3-4-9(8)12(2)10(6)13/h3-6H,1-2H3,(H,14,15)/t6-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid?
(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 98586131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).