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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Related Compounds

(2S,3S)-3-(carboxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 11666053
4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 142986299
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
3-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-yl)propanoic acid
CID 67685683
3-(3-phenyl-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 3055290
3-(2-amino-2,4a,9,9a-tetrahydro-1H-carbazol-1-yl)propanoic acid
CID 68654077
(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
CID 100944790
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
CID 67780838
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
3-(4-phenyl-1,3-dioxetan-2-yl)propanoic acid
CID 70327887
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501

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).