2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid

C18H15NO4 — CID 10828666

IUPAC2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15NO4/c20-17(21)10-14-11-19(16-9-5-4-8-15(14)16)18(22)23-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21)
InChIKeyQVFNCAMVGRMVAL-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid

2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid (PubChem CID 10828666) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid
PubChem CID10828666
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15NO4/c20-17(21)10-14-11-19(16-9-5-4-8-15(14)16)18(22)23-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21)
InChIKeyQVFNCAMVGRMVAL-UHFFFAOYSA-N
XLogP3.45
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid?
The IUPAC name of 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid (CID 10828666) is 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid is O=C(O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid?
The InChIKey is QVFNCAMVGRMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17(21)10-14-11-19(16-9-5-4-8-15(14)16)18(22)23-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,20,21).
What are the key properties of 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid?
2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid has a molecular weight of 309.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycarbonylindol-3-yl)acetic acid is sourced from PubChem (CID 10828666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).