2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid

C11H13NO3 — CID 121204232

IUPAC2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
SMILESO=C(O)CN1CCc2ccc(CO)cc21
InChIInChI=1S/C11H13NO3/c13-7-8-1-2-9-3-4-12(6-11(14)15)10(9)5-8/h1-2,5,13H,3-4,6-7H2,(H,14,15)
InChIKeyUYRJKYPFCQVWTF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.63
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid

2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid (PubChem CID 121204232) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
PubChem CID121204232
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
SMILESO=C(O)CN1CCc2ccc(CO)cc21
InChIInChI=1S/C11H13NO3/c13-7-8-1-2-9-3-4-12(6-11(14)15)10(9)5-8/h1-2,5,13H,3-4,6-7H2,(H,14,15)
InChIKeyUYRJKYPFCQVWTF-UHFFFAOYSA-N
XLogP0.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid?
The IUPAC name of 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid (CID 121204232) is 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid is O=C(O)CN1CCc2ccc(CO)cc21.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid?
The InChIKey is UYRJKYPFCQVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-8-1-2-9-3-4-12(6-11(14)15)10(9)5-8/h1-2,5,13H,3-4,6-7H2,(H,14,15).
What are the key properties of 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid?
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid has a molecular weight of 207.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid is sourced from PubChem (CID 121204232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).