cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid

C12H11NO2 — CID 155903939

IUPACcis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11NO2/c14-12(15)9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9,13H,6H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyAGLUFTLMFLVXSW-DTWKUNHWSA-N
MW201.22 g/mol
LogP2.36
Rot. Bonds2

About cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 155903939) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID155903939
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namecis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11NO2/c14-12(15)9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9,13H,6H2,(H,14,15)/t8-,9+/m0/s1
InChIKeyAGLUFTLMFLVXSW-DTWKUNHWSA-N
XLogP2.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid (CID 155903939) is cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1c1cc2ccccc2[nH]1.
What is the InChIKey of cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is AGLUFTLMFLVXSW-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12(15)9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9,13H,6H2,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155903939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).