trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid

C13H13NO2 — CID 67289453

IUPACtrans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc([C@@H]2C[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyYTWUHEMWIJFPOA-NXEZZACHSA-N
MW215.25 g/mol
LogP2.37
Rot. Bonds2

About trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 67289453) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID67289453
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nametrans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc([C@@H]2C[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyYTWUHEMWIJFPOA-NXEZZACHSA-N
XLogP2.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid (CID 67289453) is trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid is Cn1cc([C@@H]2C[C@H]2C(=O)O)c2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YTWUHEMWIJFPOA-NXEZZACHSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14-7-11(9-6-10(9)13(15)16)8-4-2-3-5-12(8)14/h2-5,7,9-10H,6H2,1H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67289453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).