3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid

C10H11NO2 — CID 83980285

IUPAC3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
SMILESCC1NCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11NO2/c1-6-9-4-7(10(12)13)2-3-8(9)5-11-6/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyCSNFYEDZCHCJAX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.55
Rot. Bonds1

About 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid

3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid (PubChem CID 83980285) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
PubChem CID83980285
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
SMILESCC1NCc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H11NO2/c1-6-9-4-7(10(12)13)2-3-8(9)5-11-6/h2-4,6,11H,5H2,1H3,(H,12,13)
InChIKeyCSNFYEDZCHCJAX-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,3-dihydro-1H-isoindole-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

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
(5S)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CID 91212770
(5S)-5-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylic acid
CID 122440187
3-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxylic acid
CID 122438022
3-methyl-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 83980258
3-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid;hydrochloride
CID 155892328
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
CID 86099294
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The IUPAC name of 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid (CID 83980285) is 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid is CC1NCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The InChIKey is CSNFYEDZCHCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-9-4-7(10(12)13)2-3-8(9)5-11-6/h2-4,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-isoindole-5-carboxylic acid is sourced from PubChem (CID 83980285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).