potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate

C15H17KN4O3 — CID 167831559

IUPACpotassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCc1ccccc1-n1cc(CN2CC(O)CC2C(=O)[O-])nn1.[K+]
InChIInChI=1S/C15H18N4O3.K/c1-10-4-2-3-5-13(10)19-8-11(16-17-19)7-18-9-12(20)6-14(18)15(21)22;/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyCTPPWVHEATZVCS-UHFFFAOYSA-M
MW340.42 g/mol
LogP-3.74
Rot. Bonds4

About potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate

potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 167831559) has the molecular formula C15H17KN4O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID167831559
Molecular FormulaC15H17KN4O3
Molecular Weight340.42 g/mol
Exact Mass340.09
IUPAC Namepotassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCc1ccccc1-n1cc(CN2CC(O)CC2C(=O)[O-])nn1.[K+]
InChIInChI=1S/C15H18N4O3.K/c1-10-4-2-3-5-13(10)19-8-11(16-17-19)7-18-9-12(20)6-14(18)15(21)22;/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyCTPPWVHEATZVCS-UHFFFAOYSA-M
XLogP-3.74
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-3.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate (CID 167831559) is potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate is Cc1ccccc1-n1cc(CN2CC(O)CC2C(=O)[O-])nn1.[K+].
What is the InChIKey of potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is CTPPWVHEATZVCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N4O3.K/c1-10-4-2-3-5-13(10)19-8-11(16-17-19)7-18-9-12(20)6-14(18)15(21)22;/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate?
potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 340.42 g/mol, XLogP of -3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-1-[[1-(2-methylphenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 167831559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).