3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid

C26H23NO2 — CID 72695132

IUPAC3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C3CC3)ccc21
InChIInChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
InChIKeyVTCPSZSCIMRYND-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.33
Rot. Bonds6

About 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid

3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid (PubChem CID 72695132) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid
PubChem CID72695132
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C3CC3)ccc21
InChIInChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
InChIKeyVTCPSZSCIMRYND-UHFFFAOYSA-N
XLogP6.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid?
The IUPAC name of 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid (CID 72695132) is 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid is O=C(O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C3CC3)ccc21.
What is the InChIKey of 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid?
The InChIKey is VTCPSZSCIMRYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29).
What are the key properties of 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid?
3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid has a molecular weight of 381.48 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2,3-diphenylindol-1-yl)propanoic acid is sourced from PubChem (CID 72695132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).