methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate

C8H13NO5 — CID 141276818

IUPACmethyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
SMILESCOC(=O)NC(C(=O)OC)C1OC1C
InChIInChI=1S/C8H13NO5/c1-4-6(14-4)5(7(10)12-2)9-8(11)13-3/h4-6H,1-3H3,(H,9,11)
InChIKeyVXXBRFKFFZPKMK-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.33
Rot. Bonds3

About methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate

methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate (PubChem CID 141276818) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
PubChem CID141276818
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namemethyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
SMILESCOC(=O)NC(C(=O)OC)C1OC1C
InChIInChI=1S/C8H13NO5/c1-4-6(14-4)5(7(10)12-2)9-8(11)13-3/h4-6H,1-3H3,(H,9,11)
InChIKeyVXXBRFKFFZPKMK-UHFFFAOYSA-N
XLogP-0.33
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The IUPAC name of methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate (CID 141276818) is methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate is COC(=O)NC(C(=O)OC)C1OC1C.
What is the InChIKey of methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The InChIKey is VXXBRFKFFZPKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-4-6(14-4)5(7(10)12-2)9-8(11)13-3/h4-6H,1-3H3,(H,9,11).
What are the key properties of methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate has a molecular weight of 203.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate is sourced from PubChem (CID 141276818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).