2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid

C16H22N2O3 — CID 80576162

IUPAC2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCCCNC(=O)C(C)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-3-8-17-16(21)11(2)18-10-12(9-15(19)20)13-6-4-5-7-14(13)18/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyVEYLJUIIBKCAAH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds6

About 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80576162) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80576162
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCCCNC(=O)C(C)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-3-8-17-16(21)11(2)18-10-12(9-15(19)20)13-6-4-5-7-14(13)18/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyVEYLJUIIBKCAAH-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid (CID 80576162) is 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid is CCCNC(=O)C(C)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is VEYLJUIIBKCAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-8-17-16(21)11(2)18-10-12(9-15(19)20)13-6-4-5-7-14(13)18/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80576162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).