5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride

C6H9ClN2O2 — CID 71461833

IUPAC5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2.ClH/c7-3-4-1-2-5(8-4)6(9)10;/h1-2,8H,3,7H2,(H,9,10);1H
InChIKeyCPVROAJAKXCAOT-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.59
Rot. Bonds2

About 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride

5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride (PubChem CID 71461833) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride
PubChem CID71461833
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2.ClH/c7-3-4-1-2-5(8-4)6(9)10;/h1-2,8H,3,7H2,(H,9,10);1H
InChIKeyCPVROAJAKXCAOT-UHFFFAOYSA-N
XLogP0.59
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride (CID 71461833) is 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride is Cl.NCc1ccc(C(=O)O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride?
The InChIKey is CPVROAJAKXCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c7-3-4-1-2-5(8-4)6(9)10;/h1-2,8H,3,7H2,(H,9,10);1H.
What are the key properties of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride?
5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71461833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).