1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid

C15H16N2O4 — CID 79323926

IUPAC1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H16N2O4/c18-9-7-11-3-5-12(6-4-11)16-14(19)10-17-8-1-2-13(17)15(20)21/h1-6,8,18H,7,9-10H2,(H,16,19)(H,20,21)
InChIKeyLNLOFOWCRPYBNB-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79323926) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79323926
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)Nc1ccc(CCO)cc1
InChIInChI=1S/C15H16N2O4/c18-9-7-11-3-5-12(6-4-11)16-14(19)10-17-8-1-2-13(17)15(20)21/h1-6,8,18H,7,9-10H2,(H,16,19)(H,20,21)
InChIKeyLNLOFOWCRPYBNB-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609
1-[2-[2-(4-hydroxyphenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323925
1-[2-(3-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325105
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325428
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
1-[2-oxo-2-(2,4,5-trifluoroanilino)ethyl]pyrrole-2-carboxylic acid
CID 79324400
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107975
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289113
2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
N-(4-fluorophenyl)-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399525

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79323926) is 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)Nc1ccc(CCO)cc1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is LNLOFOWCRPYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-9-7-11-3-5-12(6-4-11)16-14(19)10-17-8-1-2-13(17)15(20)21/h1-6,8,18H,7,9-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79323926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).