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

C6H8N2O2 — CID 15546384

IUPAC5-(aminomethyl)-1H-pyrrole-2-carboxylic acid
SMILESNCc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c7-3-4-1-2-5(8-4)6(9)10/h1-2,8H,3,7H2,(H,9,10)
InChIKeyMLKBXEMBGLQJDE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds2

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

5-(aminomethyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 15546384) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrrole-2-carboxylic acid
PubChem CID15546384
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-(aminomethyl)-1H-pyrrole-2-carboxylic acid
SMILESNCc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C6H8N2O2/c7-3-4-1-2-5(8-4)6(9)10/h1-2,8H,3,7H2,(H,9,10)
InChIKeyMLKBXEMBGLQJDE-UHFFFAOYSA-N
XLogP0.17
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
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?
The IUPAC name of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid (CID 15546384) is 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid is NCc1ccc(C(=O)O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is MLKBXEMBGLQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-4-1-2-5(8-4)6(9)10/h1-2,8H,3,7H2,(H,9,10).
What are the key properties of 5-(aminomethyl)-1H-pyrrole-2-carboxylic acid?
5-(aminomethyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.17, 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 is sourced from PubChem (CID 15546384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).