3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid

C17H17NO2 — CID 23003978

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H17NO2/c19-17(20)11-15(12-4-2-1-3-5-12)13-6-7-16-14(10-13)8-9-18-16/h1-7,10,15,18H,8-9,11H2,(H,19,20)
InChIKeyGZTLUTPDMVSFPY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.26
Rot. Bonds4

About 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid

3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid (PubChem CID 23003978) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid
PubChem CID23003978
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H17NO2/c19-17(20)11-15(12-4-2-1-3-5-12)13-6-7-16-14(10-13)8-9-18-16/h1-7,10,15,18H,8-9,11H2,(H,19,20)
InChIKeyGZTLUTPDMVSFPY-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
6-(2-nitro-1-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 132608679
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
3-amino-3-(2,3-dihydro-1H-indol-5-yl)propan-1-ol
CID 55297643
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
(3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoic acid
CID 71188458
3-(2,3-dihydro-1H-indol-5-yl)-3-methylbutanoic acid
CID 116998166

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid (CID 23003978) is 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid?
The InChIKey is GZTLUTPDMVSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)11-15(12-4-2-1-3-5-12)13-6-7-16-14(10-13)8-9-18-16/h1-7,10,15,18H,8-9,11H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid?
3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 23003978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).