2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid

C19H17FN2O3 — CID 75117707

IUPAC2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid
SMILESO=C(CCn1ccc2ccc(F)cc21)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H17FN2O3/c20-15-7-6-13-8-10-22(16(13)12-15)11-9-17(23)21-18(19(24)25)14-4-2-1-3-5-14/h1-8,10,12,18H,9,11H2,(H,21,23)(H,24,25)
InChIKeyPDUQFQZNJTWBFU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.11
Rot. Bonds6

About 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid

2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid (PubChem CID 75117707) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid
PubChem CID75117707
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid
SMILESO=C(CCn1ccc2ccc(F)cc21)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H17FN2O3/c20-15-7-6-13-8-10-22(16(13)12-15)11-9-17(23)21-18(19(24)25)14-4-2-1-3-5-14/h1-8,10,12,18H,9,11H2,(H,21,23)(H,24,25)
InChIKeyPDUQFQZNJTWBFU-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
(2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95118338
2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 47001059
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-(6-fluoroindol-1-yl)acetic acid
CID 6498201
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
3-(6-fluoroindol-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 56761033
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid (CID 75117707) is 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid is O=C(CCn1ccc2ccc(F)cc21)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid?
The InChIKey is PDUQFQZNJTWBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-15-7-6-13-8-10-22(16(13)12-15)11-9-17(23)21-18(19(24)25)14-4-2-1-3-5-14/h1-8,10,12,18H,9,11H2,(H,21,23)(H,24,25).
What are the key properties of 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid?
2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid has a molecular weight of 340.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-fluoroindol-1-yl)propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 75117707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).