3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid

C17H17NO2 — CID 19348216

IUPAC3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(20)11-10-14-13-8-4-5-9-15(13)18-17(14)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2,(H,19,20)
InChIKeySENDEXSCORVCQR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.80
Rot. Bonds4

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

3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid (PubChem CID 19348216) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
PubChem CID19348216
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
SMILESO=C(O)CCC1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(20)11-10-14-13-8-4-5-9-15(13)18-17(14)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2,(H,19,20)
InChIKeySENDEXSCORVCQR-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid (CID 19348216) is 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid is O=C(O)CCC1c2ccccc2NC1c1ccccc1.
What is the InChIKey of 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid?
The InChIKey is SENDEXSCORVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)11-10-14-13-8-4-5-9-15(13)18-17(14)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2,(H,19,20).
What are the key properties of 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid?
3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 19348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).