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

C14H18N2O3 — CID 80578178

IUPAC2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(CN1CC(CC(=O)O)c2ccccc21)C(N)=O
InChIInChI=1S/C14H18N2O3/c1-9(14(15)19)7-16-8-10(6-13(17)18)11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyXAUAFMOJLGXWDL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.19
Rot. Bonds5

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

2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80578178) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80578178
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(CN1CC(CC(=O)O)c2ccccc21)C(N)=O
InChIInChI=1S/C14H18N2O3/c1-9(14(15)19)7-16-8-10(6-13(17)18)11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyXAUAFMOJLGXWDL-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80578178) is 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid is CC(CN1CC(CC(=O)O)c2ccccc21)C(N)=O.
What is the InChIKey of 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is XAUAFMOJLGXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(14(15)19)7-16-8-10(6-13(17)18)11-4-2-3-5-12(11)16/h2-5,9-10H,6-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80578178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).