potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate

C14H18KN3O4S — CID 167972903

IUPACpotassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate
SMILESO=C1CC[C@@H](CCNC(=O)NC(Cc2cccs2)C(=O)[O-])N1.[K+]
InChIInChI=1S/C14H19N3O4S.K/c18-12-4-3-9(16-12)5-6-15-14(21)17-11(13(19)20)8-10-2-1-7-22-10;/h1-2,7,9,11H,3-6,8H2,(H,16,18)(H,19,20)(H2,15,17,21);/q;+1/p-1/t9-,11?;/m0./s1
InChIKeyTXKAJANEBQVAOX-QMOSYVFLSA-M
MW363.48 g/mol
LogP-3.62
Rot. Bonds7

About potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate

potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate (PubChem CID 167972903) has the molecular formula C14H18KN3O4S and a molecular weight of 363.48 g/mol. Its IUPAC name is potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namepotassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate
PubChem CID167972903
Molecular FormulaC14H18KN3O4S
Molecular Weight363.48 g/mol
Exact Mass363.07
IUPAC Namepotassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate
SMILESO=C1CC[C@@H](CCNC(=O)NC(Cc2cccs2)C(=O)[O-])N1.[K+]
InChIInChI=1S/C14H19N3O4S.K/c18-12-4-3-9(16-12)5-6-15-14(21)17-11(13(19)20)8-10-2-1-7-22-10;/h1-2,7,9,11H,3-6,8H2,(H,16,18)(H,19,20)(H2,15,17,21);/q;+1/p-1/t9-,11?;/m0./s1
InChIKeyTXKAJANEBQVAOX-QMOSYVFLSA-M
XLogP-3.62
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 5-3.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate?
The IUPAC name of potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate (CID 167972903) is potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate is O=C1CC[C@@H](CCNC(=O)NC(Cc2cccs2)C(=O)[O-])N1.[K+].
What is the InChIKey of potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate?
The InChIKey is TXKAJANEBQVAOX-QMOSYVFLSA-M. The full InChI is InChI=1S/C14H19N3O4S.K/c18-12-4-3-9(16-12)5-6-15-14(21)17-11(13(19)20)8-10-2-1-7-22-10;/h1-2,7,9,11H,3-6,8H2,(H,16,18)(H,19,20)(H2,15,17,21);/q;+1/p-1/t9-,11?;/m0./s1.
What are the key properties of potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate?
potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate has a molecular weight of 363.48 g/mol, XLogP of -3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-[(2S)-5-oxopyrrolidin-2-yl]ethylcarbamoylamino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 167972903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).