4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid

C10H11N3O2 — CID 82282960

IUPAC4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCn1ccc(-c2[nH]cc(N)c2C(=O)O)c1
InChIInChI=1S/C10H11N3O2/c1-13-3-2-6(5-13)9-8(10(14)15)7(11)4-12-9/h2-5,12H,11H2,1H3,(H,14,15)
InChIKeyXLKTXMZBRAXWHK-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.30
Rot. Bonds2

About 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid

4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82282960) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID82282960
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCn1ccc(-c2[nH]cc(N)c2C(=O)O)c1
InChIInChI=1S/C10H11N3O2/c1-13-3-2-6(5-13)9-8(10(14)15)7(11)4-12-9/h2-5,12H,11H2,1H3,(H,14,15)
InChIKeyXLKTXMZBRAXWHK-UHFFFAOYSA-N
XLogP1.30
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid (CID 82282960) is 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid is Cn1ccc(-c2[nH]cc(N)c2C(=O)O)c1.
What is the InChIKey of 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is XLKTXMZBRAXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-3-2-6(5-13)9-8(10(14)15)7(11)4-12-9/h2-5,12H,11H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid?
4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82282960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).