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

C15H18N2O3 — CID 80565326

IUPAC1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C)CC1NC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-15(2)7-12(15)16-14(20)17-8-10(13(18)19)9-5-3-4-6-11(9)17/h3-6,10,12H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyTVGBUJCAOUWSQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.18
Rot. Bonds2

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

1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565326) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565326
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC1(C)CC1NC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-15(2)7-12(15)16-14(20)17-8-10(13(18)19)9-5-3-4-6-11(9)17/h3-6,10,12H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyTVGBUJCAOUWSQT-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564755
1-(pentylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566149
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-(pent-3-ynylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 116644685
1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564813
1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565258
1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
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-(2,2-dimethylpyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564871
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid (CID 80565326) is 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is CC1(C)CC1NC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is TVGBUJCAOUWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)7-12(15)16-14(20)17-8-10(13(18)19)9-5-3-4-6-11(9)17/h3-6,10,12H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).