(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid

C16H14N2O2 — CID 1092974

IUPAC(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C[C@H](c1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-16(20)9-13(11-5-7-17-8-6-11)14-10-18-15-4-2-1-3-12(14)15/h1-8,10,13,18H,9H2,(H,19,20)/t13-/m1/s1
InChIKeyUAXLGHAFKLPXEL-CYBMUJFWSA-N
MW266.30 g/mol
LogP3.17
Rot. Bonds4

About (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid

(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid (PubChem CID 1092974) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid
PubChem CID1092974
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C[C@H](c1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-16(20)9-13(11-5-7-17-8-6-11)14-10-18-15-4-2-1-3-12(14)15/h1-8,10,13,18H,9H2,(H,19,20)/t13-/m1/s1
InChIKeyUAXLGHAFKLPXEL-CYBMUJFWSA-N
XLogP3.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Indole-3-pyruvic acid
CID 803
N-Acetyl-L-tryptophan
CID 700653
N-Acetyltryptophan
CID 2002
Indoximod
CID 405012
Indole-3-lactic acid
CID 92904
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid (CID 1092974) is (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid is O=C(O)C[C@H](c1ccncc1)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid?
The InChIKey is UAXLGHAFKLPXEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)9-13(11-5-7-17-8-6-11)14-10-18-15-4-2-1-3-12(14)15/h1-8,10,13,18H,9H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid?
(3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 1092974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).