2-(1H-indol-3-yl)propanoic acid

C11H11NO2 — CID 10899423

IUPAC2-(1H-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)
InChIKeyWNVIEMRKZPPPOJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.36
Rot. Bonds2

About 2-(1H-indol-3-yl)propanoic acid

2-(1H-indol-3-yl)propanoic acid (PubChem CID 10899423) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)propanoic acid
PubChem CID10899423
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(1H-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c1-7(11(13)14)9-6-12-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H,13,14)
InChIKeyWNVIEMRKZPPPOJ-UHFFFAOYSA-N
XLogP2.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-(1H-indol-3-yl)propanoic acid (CID 10899423) is 2-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(1H-indol-3-yl)propanoic acid is CC(C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)propanoic acid?
The InChIKey is WNVIEMRKZPPPOJ-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/h2-7,12H,1H3,(H,13,14).
What are the key properties of 2-(1H-indol-3-yl)propanoic acid?
2-(1H-indol-3-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 10899423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).