3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid

C11H13NO3 — CID 71455662

IUPAC3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1CNc2cc(O)ccc21
InChIInChI=1S/C11H13NO3/c13-8-2-3-9-7(1-4-11(14)15)6-12-10(9)5-8/h2-3,5,7,12-13H,1,4,6H2,(H,14,15)
InChIKeyQNQKOPFJCYVYPF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.77
Rot. Bonds3

About 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid

3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid (PubChem CID 71455662) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
PubChem CID71455662
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1CNc2cc(O)ccc21
InChIInChI=1S/C11H13NO3/c13-8-2-3-9-7(1-4-11(14)15)6-12-10(9)5-8/h2-3,5,7,12-13H,1,4,6H2,(H,14,15)
InChIKeyQNQKOPFJCYVYPF-UHFFFAOYSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid (CID 71455662) is 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid is O=C(O)CCC1CNc2cc(O)ccc21.
What is the InChIKey of 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The InChIKey is QNQKOPFJCYVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-2-3-9-7(1-4-11(14)15)6-12-10(9)5-8/h2-3,5,7,12-13H,1,4,6H2,(H,14,15).
What are the key properties of 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid?
3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-2,3-dihydro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 71455662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).