2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid

C19H17FN2O3 — CID 47001059

IUPAC2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cn1ccc2ccc(F)cc21)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H17FN2O3/c20-15-7-6-14-8-9-22(17(14)11-15)12-18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-9,11,16H,10,12H2,(H,21,23)(H,24,25)
InChIKeyATKINTXKKGBJRD-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.59
Rot. Bonds6

About 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid

2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 47001059) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID47001059
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cn1ccc2ccc(F)cc21)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H17FN2O3/c20-15-7-6-14-8-9-22(17(14)11-15)12-18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-9,11,16H,10,12H2,(H,21,23)(H,24,25)
InChIKeyATKINTXKKGBJRD-UHFFFAOYSA-N
XLogP2.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid (CID 47001059) is 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid is O=C(Cn1ccc2ccc(F)cc21)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is ATKINTXKKGBJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-15-7-6-14-8-9-22(17(14)11-15)12-18(23)21-16(19(24)25)10-13-4-2-1-3-5-13/h1-9,11,16H,10,12H2,(H,21,23)(H,24,25).
What are the key properties of 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid?
2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 340.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 47001059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).