2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid

C15H16N2O3 — CID 2814298

IUPAC2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19)
InChIKeyANQJKFVOUAXTCA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.01
Rot. Bonds3

About 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid

2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid (PubChem CID 2814298) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid
PubChem CID2814298
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19)
InChIKeyANQJKFVOUAXTCA-UHFFFAOYSA-N
XLogP2.01
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid?
The IUPAC name of 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid (CID 2814298) is 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid.
What is the SMILES notation for 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid?
The canonical SMILES for 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid is O=C(O)c1cc(-n2cccc2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid?
The InChIKey is ANQJKFVOUAXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19).
What are the key properties of 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid?
2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-pyrrol-1-ylbenzoic acid is sourced from PubChem (CID 2814298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).