(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate

C8H11NO5 — CID 71047612

IUPAC(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1oc(=O)oc1N
InChIInChI=1S/C8H11NO5/c1-4(2)7(10)12-3-5-6(9)14-8(11)13-5/h4H,3,9H2,1-2H3
InChIKeyJNMGHVRWSJOLSX-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.51
Rot. Bonds3

About (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate

(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate (PubChem CID 71047612) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
PubChem CID71047612
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1oc(=O)oc1N
InChIInChI=1S/C8H11NO5/c1-4(2)7(10)12-3-5-6(9)14-8(11)13-5/h4H,3,9H2,1-2H3
InChIKeyJNMGHVRWSJOLSX-UHFFFAOYSA-N
XLogP0.51
TPSA95.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate?
The IUPAC name of (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate (CID 71047612) is (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate?
The canonical SMILES for (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate is CC(C)C(=O)OCc1oc(=O)oc1N.
What is the InChIKey of (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate?
The InChIKey is JNMGHVRWSJOLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-4(2)7(10)12-3-5-6(9)14-8(11)13-5/h4H,3,9H2,1-2H3.
What are the key properties of (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate?
(5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate has a molecular weight of 201.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 71047612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).