potassium 3-amino-1H-pyrrole-2-carboxylate

C5H5KN2O2 — CID 86583062

IUPACpotassium 3-amino-1H-pyrrole-2-carboxylate
SMILESNc1cc[nH]c1C(=O)[O-].[K+]
InChIInChI=1S/C5H6N2O2.K/c6-3-1-2-7-4(3)5(8)9;/h1-2,7H,6H2,(H,8,9);/q;+1/p-1
InChIKeyGSVWXXLVDQHAAW-UHFFFAOYSA-M
MW164.21 g/mol
LogP-4.04
Rot. Bonds1

About potassium 3-amino-1H-pyrrole-2-carboxylate

potassium 3-amino-1H-pyrrole-2-carboxylate (PubChem CID 86583062) has the molecular formula C5H5KN2O2 and a molecular weight of 164.21 g/mol. Its IUPAC name is potassium 3-amino-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namepotassium 3-amino-1H-pyrrole-2-carboxylate
PubChem CID86583062
Molecular FormulaC5H5KN2O2
Molecular Weight164.21 g/mol
Exact Mass164.00
IUPAC Namepotassium 3-amino-1H-pyrrole-2-carboxylate
SMILESNc1cc[nH]c1C(=O)[O-].[K+]
InChIInChI=1S/C5H6N2O2.K/c6-3-1-2-7-4(3)5(8)9;/h1-2,7H,6H2,(H,8,9);/q;+1/p-1
InChIKeyGSVWXXLVDQHAAW-UHFFFAOYSA-M
XLogP-4.04
TPSA81.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrole-2-Carboxylic Acid
CID 12473
Pyrrole-2-Carboxylate
CID 3330246
4-nitro-1H-pyrrole-2-carboxylic Acid
CID 7016560
Methyl pyrrole-2-carboxylate
CID 136930
Ethyl 3-amino-1H-pyrrole-2-carboxylate
CID 2773439
4-fluoro-1H-pyrrole-2-carboxylic acid
CID 55297443
4-iodo-1H-pyrrole-2-carboxylic acid
CID 11031897
4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid
CID 3330245
3-Amino-2-ethoxycarbonylpyrrole hydrochloride
CID 16427091
Methyl 4-amino-1H-pyrrole-2-carboxylate hydrochloride
CID 43810572
3-Amino-1H-pyrrole-2-carboxamide
CID 22661707
Methyl 3-amino-1H-pyrrole-2-carboxylate
CID 118989583

Frequently Asked Questions

What is the IUPAC name of potassium 3-amino-1H-pyrrole-2-carboxylate?
The IUPAC name of potassium 3-amino-1H-pyrrole-2-carboxylate (CID 86583062) is potassium 3-amino-1H-pyrrole-2-carboxylate.
What is the SMILES notation for potassium 3-amino-1H-pyrrole-2-carboxylate?
The canonical SMILES for potassium 3-amino-1H-pyrrole-2-carboxylate is Nc1cc[nH]c1C(=O)[O-].[K+].
What is the InChIKey of potassium 3-amino-1H-pyrrole-2-carboxylate?
The InChIKey is GSVWXXLVDQHAAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O2.K/c6-3-1-2-7-4(3)5(8)9;/h1-2,7H,6H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 3-amino-1H-pyrrole-2-carboxylate?
potassium 3-amino-1H-pyrrole-2-carboxylate has a molecular weight of 164.21 g/mol, XLogP of -4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-amino-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 86583062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).