2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid

C15H20N2O3 — CID 80578399

IUPAC2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCN(C)C(=O)CCN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-16(2)14(18)7-8-17-10-11(9-15(19)20)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,19,20)
InChIKeyNNZRZRRBZZMSIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds5

About 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80578399) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80578399
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCN(C)C(=O)CCN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-16(2)14(18)7-8-17-10-11(9-15(19)20)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,19,20)
InChIKeyNNZRZRRBZZMSIG-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid (CID 80578399) is 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid is CN(C)C(=O)CCN1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is NNZRZRRBZZMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-16(2)14(18)7-8-17-10-11(9-15(19)20)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80578399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).