2-(3aH-indol-3-yl)propanoic acid

C11H11NO2 — CID 121272832

IUPAC2-(3aH-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1=CN=C2C=CC=CC12
InChIInChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-8H,1H3,(H,13,14)
InChIKeyVEIMDZIJGAJMEP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.79
Rot. Bonds2

About 2-(3aH-indol-3-yl)propanoic acid

2-(3aH-indol-3-yl)propanoic acid (PubChem CID 121272832) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(3aH-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(3aH-indol-3-yl)propanoic acid
PubChem CID121272832
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(3aH-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1=CN=C2C=CC=CC12
InChIInChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-8H,1H3,(H,13,14)
InChIKeyVEIMDZIJGAJMEP-UHFFFAOYSA-N
XLogP1.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3aH-indol-3-yl)propanoic acid?
The IUPAC name of 2-(3aH-indol-3-yl)propanoic acid (CID 121272832) is 2-(3aH-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(3aH-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(3aH-indol-3-yl)propanoic acid is CC(C(=O)O)C1=CN=C2C=CC=CC12.
What is the InChIKey of 2-(3aH-indol-3-yl)propanoic acid?
The InChIKey is VEIMDZIJGAJMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-8H,1H3,(H,13,14).
What are the key properties of 2-(3aH-indol-3-yl)propanoic acid?
2-(3aH-indol-3-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3aH-indol-3-yl)propanoic acid is sourced from PubChem (CID 121272832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).