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

C10H14N2O5S — CID 43408761

IUPACmethyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O5S/c1-6-5-18-10(16)12(6)3-8(14)11-7(4-13)9(15)17-2/h5,7,13H,3-4H2,1-2H3,(H,11,14)
InChIKeyDVFNULLOOJYGQN-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.13
Rot. Bonds5

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

methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (PubChem CID 43408761) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
PubChem CID43408761
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Namemethyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O5S/c1-6-5-18-10(16)12(6)3-8(14)11-7(4-13)9(15)17-2/h5,7,13H,3-4H2,1-2H3,(H,11,14)
InChIKeyDVFNULLOOJYGQN-UHFFFAOYSA-N
XLogP-1.13
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate (CID 43408761) is methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is COC(=O)C(CO)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
The InChIKey is DVFNULLOOJYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6-5-18-10(16)12(6)3-8(14)11-7(4-13)9(15)17-2/h5,7,13H,3-4H2,1-2H3,(H,11,14).
What are the key properties of methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate has a molecular weight of 274.30 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 43408761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).