ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate

C12H18N2O4S — CID 54983828

IUPACethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CN1CSCC1=O)C1CC1
InChIInChI=1S/C12H18N2O4S/c1-2-18-12(17)6-14(9-3-4-9)10(15)5-13-8-19-7-11(13)16/h9H,2-8H2,1H3
InChIKeyOVKUBKZRTOTUEA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.07
Rot. Bonds6

About ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate (PubChem CID 54983828) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate
PubChem CID54983828
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Nameethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CN1CSCC1=O)C1CC1
InChIInChI=1S/C12H18N2O4S/c1-2-18-12(17)6-14(9-3-4-9)10(15)5-13-8-19-7-11(13)16/h9H,2-8H2,1H3
InChIKeyOVKUBKZRTOTUEA-UHFFFAOYSA-N
XLogP0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate (CID 54983828) is ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CN1CSCC1=O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
The InChIKey is OVKUBKZRTOTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-18-12(17)6-14(9-3-4-9)10(15)5-13-8-19-7-11(13)16/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate has a molecular weight of 286.35 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 54983828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).