2-(1-propylindol-3-yl)butanedioic acid

C15H17NO4 — CID 2960712

IUPAC2-(1-propylindol-3-yl)butanedioic acid
SMILESCCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-7-16-9-12(10-5-3-4-6-13(10)16)11(15(19)20)8-14(17)18/h3-6,9,11H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyFBEVDZYOBTWNOJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.69
Rot. Bonds6

About 2-(1-propylindol-3-yl)butanedioic acid

2-(1-propylindol-3-yl)butanedioic acid (PubChem CID 2960712) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(1-propylindol-3-yl)butanedioic acid.

Molecular Properties

Compound Name2-(1-propylindol-3-yl)butanedioic acid
PubChem CID2960712
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(1-propylindol-3-yl)butanedioic acid
SMILESCCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-2-7-16-9-12(10-5-3-4-6-13(10)16)11(15(19)20)8-14(17)18/h3-6,9,11H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyFBEVDZYOBTWNOJ-UHFFFAOYSA-N
XLogP2.69
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylindol-3-yl)butanedioic acid?
The IUPAC name of 2-(1-propylindol-3-yl)butanedioic acid (CID 2960712) is 2-(1-propylindol-3-yl)butanedioic acid.
What is the SMILES notation for 2-(1-propylindol-3-yl)butanedioic acid?
The canonical SMILES for 2-(1-propylindol-3-yl)butanedioic acid is CCCn1cc(C(CC(=O)O)C(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-propylindol-3-yl)butanedioic acid?
The InChIKey is FBEVDZYOBTWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-7-16-9-12(10-5-3-4-6-13(10)16)11(15(19)20)8-14(17)18/h3-6,9,11H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1-propylindol-3-yl)butanedioic acid?
2-(1-propylindol-3-yl)butanedioic acid has a molecular weight of 275.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylindol-3-yl)butanedioic acid is sourced from PubChem (CID 2960712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).