3-aminopyrrole-3-carboxylic acid

C5H6N2O2 — CID 154019971

IUPAC3-aminopyrrole-3-carboxylic acid
SMILESNC1(C(=O)O)C=CN=C1
InChIInChI=1S/C5H6N2O2/c6-5(4(8)9)1-2-7-3-5/h1-3H,6H2,(H,8,9)
InChIKeyXQMUSDPMWNJNSA-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.63
Rot. Bonds1

About 3-aminopyrrole-3-carboxylic acid

3-aminopyrrole-3-carboxylic acid (PubChem CID 154019971) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 3-aminopyrrole-3-carboxylic acid.

Molecular Properties

Compound Name3-aminopyrrole-3-carboxylic acid
PubChem CID154019971
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name3-aminopyrrole-3-carboxylic acid
SMILESNC1(C(=O)O)C=CN=C1
InChIInChI=1S/C5H6N2O2/c6-5(4(8)9)1-2-7-3-5/h1-3H,6H2,(H,8,9)
InChIKeyXQMUSDPMWNJNSA-UHFFFAOYSA-N
XLogP-0.63
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrole-3-carboxylic acid?
The IUPAC name of 3-aminopyrrole-3-carboxylic acid (CID 154019971) is 3-aminopyrrole-3-carboxylic acid.
What is the SMILES notation for 3-aminopyrrole-3-carboxylic acid?
The canonical SMILES for 3-aminopyrrole-3-carboxylic acid is NC1(C(=O)O)C=CN=C1.
What is the InChIKey of 3-aminopyrrole-3-carboxylic acid?
The InChIKey is XQMUSDPMWNJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5(4(8)9)1-2-7-3-5/h1-3H,6H2,(H,8,9).
What are the key properties of 3-aminopyrrole-3-carboxylic acid?
3-aminopyrrole-3-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrole-3-carboxylic acid is sourced from PubChem (CID 154019971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).