3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride

C7H11ClN2O2 — CID 158456675

IUPAC3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride
SMILESCCn1ccc(N)c1C(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-9-4-3-5(8)6(9)7(10)11;/h3-4H,2,8H2,1H3,(H,10,11);1H
InChIKeyHEQQXQXICSLYIY-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.21
Rot. Bonds2

About 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride

3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride (PubChem CID 158456675) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride
PubChem CID158456675
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride
SMILESCCn1ccc(N)c1C(=O)O.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-2-9-4-3-5(8)6(9)7(10)11;/h3-4H,2,8H2,1H3,(H,10,11);1H
InChIKeyHEQQXQXICSLYIY-UHFFFAOYSA-N
XLogP1.21
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride (CID 158456675) is 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride is CCn1ccc(N)c1C(=O)O.Cl.
What is the InChIKey of 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is HEQQXQXICSLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-2-9-4-3-5(8)6(9)7(10)11;/h3-4H,2,8H2,1H3,(H,10,11);1H.
What are the key properties of 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride?
3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158456675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).