potassium 3-benzamidohexanoate

C13H16KNO3 — CID 101304473

IUPACpotassium 3-benzamidohexanoate
SMILESCCCC(CC(=O)[O-])NC(=O)c1ccccc1.[K+]
InChIInChI=1S/C13H17NO3.K/c1-2-6-11(9-12(15)16)14-13(17)10-7-4-3-5-8-10;/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16);/q;+1/p-1
InChIKeyKHUNGNPNMWEUQP-UHFFFAOYSA-M
MW273.37 g/mol
LogP-2.27
Rot. Bonds6

About potassium 3-benzamidohexanoate

potassium 3-benzamidohexanoate (PubChem CID 101304473) has the molecular formula C13H16KNO3 and a molecular weight of 273.37 g/mol. Its IUPAC name is potassium 3-benzamidohexanoate.

Molecular Properties

Compound Namepotassium 3-benzamidohexanoate
PubChem CID101304473
Molecular FormulaC13H16KNO3
Molecular Weight273.37 g/mol
Exact Mass273.08
IUPAC Namepotassium 3-benzamidohexanoate
SMILESCCCC(CC(=O)[O-])NC(=O)c1ccccc1.[K+]
InChIInChI=1S/C13H17NO3.K/c1-2-6-11(9-12(15)16)14-13(17)10-7-4-3-5-8-10;/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16);/q;+1/p-1
InChIKeyKHUNGNPNMWEUQP-UHFFFAOYSA-M
XLogP-2.27
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 3-benzamidohexanoate?
The IUPAC name of potassium 3-benzamidohexanoate (CID 101304473) is potassium 3-benzamidohexanoate.
What is the SMILES notation for potassium 3-benzamidohexanoate?
The canonical SMILES for potassium 3-benzamidohexanoate is CCCC(CC(=O)[O-])NC(=O)c1ccccc1.[K+].
What is the InChIKey of potassium 3-benzamidohexanoate?
The InChIKey is KHUNGNPNMWEUQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO3.K/c1-2-6-11(9-12(15)16)14-13(17)10-7-4-3-5-8-10;/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16);/q;+1/p-1.
What are the key properties of potassium 3-benzamidohexanoate?
potassium 3-benzamidohexanoate has a molecular weight of 273.37 g/mol, XLogP of -2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-benzamidohexanoate is sourced from PubChem (CID 101304473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).