2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C15H16N2O3 — CID 60791887

IUPAC2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(11-7-12(11)15(19)20)16-6-5-9-8-17-13-4-2-1-3-10(9)13/h1-4,8,11-12,17H,5-7H2,(H,16,18)(H,19,20)
InChIKeyIBRYMIVTFKQNQR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791887) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791887
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(11-7-12(11)15(19)20)16-6-5-9-8-17-13-4-2-1-3-10(9)13/h1-4,8,11-12,17H,5-7H2,(H,16,18)(H,19,20)
InChIKeyIBRYMIVTFKQNQR-UHFFFAOYSA-N
XLogP1.55
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
1-N-(2-ethylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138520
2-N-[2-(1H-indol-3-yl)ethyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138505
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138524
1-N-(2-ethoxyphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138540
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60791887) is 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IBRYMIVTFKQNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(11-7-12(11)15(19)20)16-6-5-9-8-17-13-4-2-1-3-10(9)13/h1-4,8,11-12,17H,5-7H2,(H,16,18)(H,19,20).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).