ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate

C11H16N2O4S — CID 47437640

IUPACethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-3-17-10(15)4-5-12-9(14)6-13-8(2)7-18-11(13)16/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyNQRJUIHFNBKYDU-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.29
Rot. Bonds6

About ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate

ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (PubChem CID 47437640) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
PubChem CID47437640
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-3-17-10(15)4-5-12-9(14)6-13-8(2)7-18-11(13)16/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyNQRJUIHFNBKYDU-UHFFFAOYSA-N
XLogP0.29
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (CID 47437640) is ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The InChIKey is NQRJUIHFNBKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-17-10(15)4-5-12-9(14)6-13-8(2)7-18-11(13)16/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 47437640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).