1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H16N2O4 — CID 79323925

IUPAC1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCc1ccc(O)cc1
InChIInChI=1S/C15H16N2O4/c18-12-5-3-11(4-6-12)7-8-16-14(19)10-17-9-1-2-13(17)15(20)21/h1-6,9,18H,7-8,10H2,(H,16,19)(H,20,21)
InChIKeyFMCLJUIHTGQCLT-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.25
Rot. Bonds6

About 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79323925) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79323925
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCCc1ccc(O)cc1
InChIInChI=1S/C15H16N2O4/c18-12-5-3-11(4-6-12)7-8-16-14(19)10-17-9-1-2-13(17)15(20)21/h1-6,9,18H,7-8,10H2,(H,16,19)(H,20,21)
InChIKeyFMCLJUIHTGQCLT-UHFFFAOYSA-N
XLogP1.25
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323926
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 106341876
(E)-3-[1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrol-2-yl]prop-2-enoic acid
CID 82030801
1-[2-(2-cyclopentyloxyethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325566
1-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324255
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79323925) is 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NCCc1ccc(O)cc1.
What is the InChIKey of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FMCLJUIHTGQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12-5-3-11(4-6-12)7-8-16-14(19)10-17-9-1-2-13(17)15(20)21/h1-6,9,18H,7-8,10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79323925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).