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

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Related Compounds

2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
CID 82622276
N-[(1R)-1-(2-ethoxy-1,3-thiazol-5-yl)ethyl]-2-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 159212917
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
1-[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95854781
trans-(1R,2R)-2-(1-methylindol-3-yl)-N-[1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377596
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
CID 134009766
1-[(3R)-3-(1-methylindol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 949213

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).