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

C13H20N2O4S — CID 61344759

IUPACethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-12(17)10(3)14-11(16)6-5-7-15-9(2)8-20-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,16)
InChIKeyPUPLOPRSTPIFQA-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.07
Rot. Bonds7

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

ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate (PubChem CID 61344759) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
PubChem CID61344759
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-12(17)10(3)14-11(16)6-5-7-15-9(2)8-20-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,16)
InChIKeyPUPLOPRSTPIFQA-UHFFFAOYSA-N
XLogP1.07
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
N-[(1S)-1-(furan-2-yl)ethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 39966737
3-methyl-4-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 81064889
2-[[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]methyl]pentanoic acid
CID 65219440
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
(2R)-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 104906174
2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 60829210
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
[(2R)-1-amino-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 40704753
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663
butyl 2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyloxy]propanoate
CID 56807179

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate?
The IUPAC name of ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate (CID 61344759) is ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate?
The canonical SMILES for ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate is CCOC(=O)C(C)NC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate?
The InChIKey is PUPLOPRSTPIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-12(17)10(3)14-11(16)6-5-7-15-9(2)8-20-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate?
ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate has a molecular weight of 300.38 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoate is sourced from PubChem (CID 61344759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).