methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate

C7H10N2O4 — CID 20624251

IUPACmethyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)C(N)c1c(C)o[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)5(8)7(11)12-2/h5H,8H2,1-2H3,(H,9,10)
InChIKeyHTHUURYKWWGYPW-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.55
Rot. Bonds2

About methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate

methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate (PubChem CID 20624251) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate
PubChem CID20624251
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate
SMILESCOC(=O)C(N)c1c(C)o[nH]c1=O
InChIInChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)5(8)7(11)12-2/h5H,8H2,1-2H3,(H,9,10)
InChIKeyHTHUURYKWWGYPW-UHFFFAOYSA-N
XLogP-0.55
TPSA98.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate (CID 20624251) is methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate is COC(=O)C(N)c1c(C)o[nH]c1=O.
What is the InChIKey of methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate?
The InChIKey is HTHUURYKWWGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)5(8)7(11)12-2/h5H,8H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate?
methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate has a molecular weight of 186.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 20624251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).