4-amino-1-methylpyrrole-2-carboxylic acid

C6H8N2O2 — CID 3330245

IUPAC4-amino-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(N)cc1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)
InChIKeyMUEOQEUSJMFYHV-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.31
Rot. Bonds1

About 4-amino-1-methylpyrrole-2-carboxylic acid

4-amino-1-methylpyrrole-2-carboxylic acid (PubChem CID 3330245) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-amino-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylpyrrole-2-carboxylic acid
PubChem CID3330245
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4-amino-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(N)cc1C(=O)O
InChIInChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)
InChIKeyMUEOQEUSJMFYHV-UHFFFAOYSA-N
XLogP0.31
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-amino-1-methylpyrrole-2-carboxylic acid (CID 3330245) is 4-amino-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-amino-1-methylpyrrole-2-carboxylic acid is Cn1cc(N)cc1C(=O)O.
What is the InChIKey of 4-amino-1-methylpyrrole-2-carboxylic acid?
The InChIKey is MUEOQEUSJMFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10).
What are the key properties of 4-amino-1-methylpyrrole-2-carboxylic acid?
4-amino-1-methylpyrrole-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 3330245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).