potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate

C16H19KN2O4 — CID 172867585

IUPACpotassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate
SMILESCCN(C)C(=O)Oc1ccc2c(CCC(=O)[O-])cn(C)c2c1.[K+]
InChIInChI=1S/C16H20N2O4.K/c1-4-17(2)16(21)22-12-6-7-13-11(5-8-15(19)20)10-18(3)14(13)9-12;/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20);/q;+1/p-1
InChIKeyTUBLNIJKGIXYLS-UHFFFAOYSA-M
MW342.44 g/mol
LogP-1.68
Rot. Bonds5

About potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate

potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate (PubChem CID 172867585) has the molecular formula C16H19KN2O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate.

Molecular Properties

Compound Namepotassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate
PubChem CID172867585
Molecular FormulaC16H19KN2O4
Molecular Weight342.44 g/mol
Exact Mass342.10
IUPAC Namepotassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate
SMILESCCN(C)C(=O)Oc1ccc2c(CCC(=O)[O-])cn(C)c2c1.[K+]
InChIInChI=1S/C16H20N2O4.K/c1-4-17(2)16(21)22-12-6-7-13-11(5-8-15(19)20)10-18(3)14(13)9-12;/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20);/q;+1/p-1
InChIKeyTUBLNIJKGIXYLS-UHFFFAOYSA-M
XLogP-1.68
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate?
The IUPAC name of potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate (CID 172867585) is potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate.
What is the SMILES notation for potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate?
The canonical SMILES for potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate is CCN(C)C(=O)Oc1ccc2c(CCC(=O)[O-])cn(C)c2c1.[K+].
What is the InChIKey of potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate?
The InChIKey is TUBLNIJKGIXYLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N2O4.K/c1-4-17(2)16(21)22-12-6-7-13-11(5-8-15(19)20)10-18(3)14(13)9-12;/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate?
potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate has a molecular weight of 342.44 g/mol, XLogP of -1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate is sourced from PubChem (CID 172867585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).