2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid

C18H19NO2 — CID 67627552

IUPAC2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid
SMILESCC1CNc2cc(C(Cc3ccccc3)C(=O)O)ccc21
InChIInChI=1S/C18H19NO2/c1-12-11-19-17-10-14(7-8-15(12)17)16(18(20)21)9-13-5-3-2-4-6-13/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)
InChIKeyNRQCPZBRDIJSQK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid

2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid (PubChem CID 67627552) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid
PubChem CID67627552
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid
SMILESCC1CNc2cc(C(Cc3ccccc3)C(=O)O)ccc21
InChIInChI=1S/C18H19NO2/c1-12-11-19-17-10-14(7-8-15(12)17)16(18(20)21)9-13-5-3-2-4-6-13/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)
InChIKeyNRQCPZBRDIJSQK-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indol-8-yl)-3-phenylpropanoic acid
CID 90953201
(2S)-2,3-diphenylpropanoic acid
CID 737125
N-methyl-1-(3-methyl-2,3-dihydro-1H-indol-6-yl)propan-2-amine
CID 117203789
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid
CID 113482995
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid (CID 67627552) is 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid is CC1CNc2cc(C(Cc3ccccc3)C(=O)O)ccc21.
What is the InChIKey of 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid?
The InChIKey is NRQCPZBRDIJSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-11-19-17-10-14(7-8-15(12)17)16(18(20)21)9-13-5-3-2-4-6-13/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21).
What are the key properties of 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid?
2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-dihydro-1H-indol-6-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 67627552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).