1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid

C16H18N2O3 — CID 61488702

IUPAC1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
SMILESCCN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C16H18N2O3/c1-2-18(11-6-7-11)15(19)10-17-9-8-12-13(16(20)21)4-3-5-14(12)17/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyGEYJUQSZVDLWNT-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid (PubChem CID 61488702) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
PubChem CID61488702
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
SMILESCCN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C16H18N2O3/c1-2-18(11-6-7-11)15(19)10-17-9-8-12-13(16(20)21)4-3-5-14(12)17/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,20,21)
InChIKeyGEYJUQSZVDLWNT-UHFFFAOYSA-N
XLogP2.35
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61489506
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399317
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
CID 112568608
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 79102532
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
CID 102910057

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid (CID 61488702) is 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid is CCN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The InChIKey is GEYJUQSZVDLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-18(11-6-7-11)15(19)10-17-9-8-12-13(16(20)21)4-3-5-14(12)17/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,20,21).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid is sourced from PubChem (CID 61488702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).