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

C17H15NO2 — CID 71683616

IUPAC3-(1H-indol-3-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(20)15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15,18H,10H2,(H,19,20)
InChIKeyDMMKMFFBADAPJB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.58
Rot. Bonds4

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

3-(1H-indol-3-yl)-2-phenylpropanoic acid (PubChem CID 71683616) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-phenylpropanoic acid
PubChem CID71683616
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(1H-indol-3-yl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(20)15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15,18H,10H2,(H,19,20)
InChIKeyDMMKMFFBADAPJB-UHFFFAOYSA-N
XLogP3.58
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
CID 82021366
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
4-[3-(1H-indol-3-yl)-2-phenylpropanoyl]piperazine-1-carbaldehyde
CID 110675149
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]-oxidoazanium
CID 141482049

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-phenylpropanoic acid (CID 71683616) is 3-(1H-indol-3-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-phenylpropanoic acid is O=C(O)C(Cc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-phenylpropanoic acid?
The InChIKey is DMMKMFFBADAPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15,18H,10H2,(H,19,20).
What are the key properties of 3-(1H-indol-3-yl)-2-phenylpropanoic acid?
3-(1H-indol-3-yl)-2-phenylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 71683616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).