1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride

C7H11ClN2O2 — CID 170915111

IUPAC1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.NCCn1ccc(C(=O)O)c1
InChIInChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(5-9)7(10)11;/h1,3,5H,2,4,8H2,(H,10,11);1H
InChIKeyCFTBQJKTISITOW-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.57
Rot. Bonds3

About 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride

1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride (PubChem CID 170915111) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride
PubChem CID170915111
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride
SMILESCl.NCCn1ccc(C(=O)O)c1
InChIInChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(5-9)7(10)11;/h1,3,5H,2,4,8H2,(H,10,11);1H
InChIKeyCFTBQJKTISITOW-UHFFFAOYSA-N
XLogP0.57
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride (CID 170915111) is 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride is Cl.NCCn1ccc(C(=O)O)c1.
What is the InChIKey of 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride?
The InChIKey is CFTBQJKTISITOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c8-2-4-9-3-1-6(5-9)7(10)11;/h1,3,5H,2,4,8H2,(H,10,11);1H.
What are the key properties of 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride?
1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 170915111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).