oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate

C10H15NO4 — CID 89238037

IUPACoxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCC1CO1
InChIInChI=1S/C10H15NO4/c1-4-8(12)11-10(2,3)9(13)15-6-7-5-14-7/h4,7H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyVWIKGGMADWQJPD-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.01
Rot. Bonds5

About oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate

oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 89238037) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID89238037
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameoxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCC1CO1
InChIInChI=1S/C10H15NO4/c1-4-8(12)11-10(2,3)9(13)15-6-7-5-14-7/h4,7H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyVWIKGGMADWQJPD-UHFFFAOYSA-N
XLogP0.01
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 89238037) is oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is VWIKGGMADWQJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-8(12)11-10(2,3)9(13)15-6-7-5-14-7/h4,7H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate?
oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 213.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 89238037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).