2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid

C16H22N2O3 — CID 80576138

IUPAC2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)CNC(=O)CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)8-17-15(19)10-18-9-12(7-16(20)21)13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAVJWPHPQWAJYOU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds6

About 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80576138) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80576138
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)CNC(=O)CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)8-17-15(19)10-18-9-12(7-16(20)21)13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAVJWPHPQWAJYOU-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methylpropyl)acetamide
CID 63236015
2-[1-(4-methylpentyl)-2,3-dihydroindol-3-yl]acetic acid
CID 83157358
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578178
2-[1-(thiophen-2-ylmethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578332
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80578399
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
CID 63236008
2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576162
2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 166178722
2-[1-(thiophen-3-ylmethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578385

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid (CID 80576138) is 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid is CC(C)CNC(=O)CN1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is AVJWPHPQWAJYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)8-17-15(19)10-18-9-12(7-16(20)21)13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80576138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).