1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid

C15H18N2O3 — CID 80565487

IUPAC1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCN(C(=O)N1CC(C(=O)O)c2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-16(10-7-8-10)15(20)17-9-12(14(18)19)11-5-3-4-6-13(11)17/h3-6,10,12H,2,7-9H2,1H3,(H,18,19)
InChIKeyGXFYSXPWRBQBQU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.28
Rot. Bonds3

About 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid

1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565487) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565487
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCN(C(=O)N1CC(C(=O)O)c2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O3/c1-2-16(10-7-8-10)15(20)17-9-12(14(18)19)11-5-3-4-6-13(11)17/h3-6,10,12H,2,7-9H2,1H3,(H,18,19)
InChIKeyGXFYSXPWRBQBQU-UHFFFAOYSA-N
XLogP2.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-[(Z)-2-methylpent-2-enoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565007
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 82851509
1-but-2-ynoyl-2,3-dihydroindole-3-carboxylic acid
CID 107986860
(3S)-1-(3-methylbut-2-enoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124575403
1-(5-amino-2-methylpentanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 115867162
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564755

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (CID 80565487) is 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is CCN(C(=O)N1CC(C(=O)O)c2ccccc21)C1CC1.
What is the InChIKey of 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is GXFYSXPWRBQBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16(10-7-8-10)15(20)17-9-12(14(18)19)11-5-3-4-6-13(11)17/h3-6,10,12H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).