3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid

C11H15NO2 — CID 10797861

IUPAC3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2c1CCCC2
InChIInChI=1S/C11H15NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h7,12H,1-6H2,(H,13,14)
InChIKeyNSPAIMACKXPNHI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.91
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid

3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid (PubChem CID 10797861) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
PubChem CID10797861
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c2c1CCCC2
InChIInChI=1S/C11H15NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h7,12H,1-6H2,(H,13,14)
InChIKeyNSPAIMACKXPNHI-UHFFFAOYSA-N
XLogP1.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid (CID 10797861) is 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid is O=C(O)CCc1c[nH]c2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid?
The InChIKey is NSPAIMACKXPNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h7,12H,1-6H2,(H,13,14).
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid?
3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 10797861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).