1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid

C11H18N2O2 — CID 84755783

IUPAC1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1CCN(C)C
InChIInChI=1S/C11H18N2O2/c1-4-10-9(11(14)15)5-6-13(10)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyHLEPDXKKDSKFNG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid (PubChem CID 84755783) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid
PubChem CID84755783
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid
SMILESCCc1c(C(=O)O)ccn1CCN(C)C
InChIInChI=1S/C11H18N2O2/c1-4-10-9(11(14)15)5-6-13(10)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyHLEPDXKKDSKFNG-UHFFFAOYSA-N
XLogP1.31
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755901
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
1-but-2-ynyl-2-ethylpyrrole-3-carboxylic acid
CID 130573287
2-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 84618057
2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756196
2-(phenoxymethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756223
CID 175926008
CID 175926008
1-(3-ethoxy-3-oxopropyl)-2-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84756125
1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755900
1-[4-(diethylamino)phenyl]-2-ethylpyrrole-3-carboxylic acid
CID 82362588
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid (CID 84755783) is 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid is CCc1c(C(=O)O)ccn1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid?
The InChIKey is HLEPDXKKDSKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-10-9(11(14)15)5-6-13(10)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84755783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).