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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Related Compounds

methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
methyl 3-[1-methyl-6-(pentylcarbamoyloxy)indol-3-yl]propanoate
CID 140669701
3-(6-hydroxy-1-methylindol-3-yl)propanoic acid
CID 71537680
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
tris(diethyl-[2-[3-[6-[ethyl(methyl)carbamoyl]oxy-1H-indol-3-yl]propanoyloxy]ethyl]azanium);2-hydroxypropane-1,2,3-tricarboxylate
CID 140669750
methyl 2-[1-methyl-6-(trifluoromethylsulfonyloxy)indol-3-yl]acetate
CID 86625402
(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
CID 68735329
(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
CID 71536274
1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
CID 124842787
N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 70328373
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114

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).