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

C10H14N2O4S — CID 60693463

IUPACmethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-6-5-17-10(15)12(6)4-8(13)11-7(2)9(14)16-3/h5,7H,4H2,1-3H3,(H,11,13)
InChIKeyCCSYMRIZPSDSQS-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.10
Rot. Bonds4

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

methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (PubChem CID 60693463) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
PubChem CID60693463
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-6-5-17-10(15)12(6)4-8(13)11-7(2)9(14)16-3/h5,7H,4H2,1-3H3,(H,11,13)
InChIKeyCCSYMRIZPSDSQS-UHFFFAOYSA-N
XLogP-0.10
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (CID 60693463) is methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The InChIKey is CCSYMRIZPSDSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-5-17-10(15)12(6)4-8(13)11-7(2)9(14)16-3/h5,7H,4H2,1-3H3,(H,11,13).
What are the key properties of methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate has a molecular weight of 258.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60693463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).