4-pyrido[4,3-b]indol-2-ylbutanoic acid

C15H14N2O2 — CID 68594412

IUPAC4-pyrido[4,3-b]indol-2-ylbutanoic acid
SMILESO=C(O)CCCn1ccc2nc3ccccc3c-2c1
InChIInChI=1S/C15H14N2O2/c18-15(19)6-3-8-17-9-7-14-12(10-17)11-4-1-2-5-13(11)16-14/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,19)
InChIKeyOTEYXSJABLEQEP-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.01
Rot. Bonds4

About 4-pyrido[4,3-b]indol-2-ylbutanoic acid

4-pyrido[4,3-b]indol-2-ylbutanoic acid (PubChem CID 68594412) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-pyrido[4,3-b]indol-2-ylbutanoic acid.

Molecular Properties

Compound Name4-pyrido[4,3-b]indol-2-ylbutanoic acid
PubChem CID68594412
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-pyrido[4,3-b]indol-2-ylbutanoic acid
SMILESO=C(O)CCCn1ccc2nc3ccccc3c-2c1
InChIInChI=1S/C15H14N2O2/c18-15(19)6-3-8-17-9-7-14-12(10-17)11-4-1-2-5-13(11)16-14/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,19)
InChIKeyOTEYXSJABLEQEP-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrido[4,3-b]indol-2-ylbutanoic acid?
The IUPAC name of 4-pyrido[4,3-b]indol-2-ylbutanoic acid (CID 68594412) is 4-pyrido[4,3-b]indol-2-ylbutanoic acid.
What is the SMILES notation for 4-pyrido[4,3-b]indol-2-ylbutanoic acid?
The canonical SMILES for 4-pyrido[4,3-b]indol-2-ylbutanoic acid is O=C(O)CCCn1ccc2nc3ccccc3c-2c1.
What is the InChIKey of 4-pyrido[4,3-b]indol-2-ylbutanoic acid?
The InChIKey is OTEYXSJABLEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)6-3-8-17-9-7-14-12(10-17)11-4-1-2-5-13(11)16-14/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,19).
What are the key properties of 4-pyrido[4,3-b]indol-2-ylbutanoic acid?
4-pyrido[4,3-b]indol-2-ylbutanoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrido[4,3-b]indol-2-ylbutanoic acid is sourced from PubChem (CID 68594412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).