1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid

C15H20N2O3 — CID 79257375

IUPAC1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCC(C)(C)NCC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-9-13(18)17-7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,16H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyUOULSSNEJCMXFB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid

1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 79257375) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID79257375
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCC(C)(C)NCC(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-9-13(18)17-7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,16H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyUOULSSNEJCMXFB-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62834215
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869
1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 64596792
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-[2-hydroxypropyl(methyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 62336981

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid (CID 79257375) is 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid is CC(C)(C)NCC(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is UOULSSNEJCMXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)16-9-13(18)17-7-6-10-8-11(14(19)20)4-5-12(10)17/h4-5,8,16H,6-7,9H2,1-3H3,(H,19,20).
What are the key properties of 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid?
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 79257375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).