ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate

C10H19NO3 — CID 10631903

IUPACethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CNC(C)(C)C)CO1
InChIInChI=1S/C10H19NO3/c1-5-13-8(12)10(7-14-10)6-11-9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyATUMQYOPPVVALN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds4

About ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate

ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate (PubChem CID 10631903) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
PubChem CID10631903
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate
SMILESCCOC(=O)C1(CNC(C)(C)C)CO1
InChIInChI=1S/C10H19NO3/c1-5-13-8(12)10(7-14-10)6-11-9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyATUMQYOPPVVALN-UHFFFAOYSA-N
XLogP0.71
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ethyl 2-propyloxirane-2-carboxylate
CID 88748989
ethyl 2-(2,2-dichloroethyl)oxirane-2-carboxylate
CID 10987602
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
ethyl 2-(6-cyclopropylhexyl)oxirane-2-carboxylate
CID 54536082
ethyl 2-[4-(2-cyclopentylethoxy)butyl]oxirane-2-carboxylate
CID 54126467
1-O-tert-butyl 2-O-ethyl 2-acetylaziridine-1,2-dicarboxylate
CID 15506301
ethyl 2-(4,5-dibromotetradecyl)oxirane-2-carboxylate
CID 22753985
ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
CID 90345789
diethyl 2-acetylaziridine-1,2-dicarboxylate
CID 15506302
ethyl 1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
CID 138039631
ethyl 4,4-difluoro-2-methyloxolane-2-carboxylate
CID 146444920
methyl 2-butyloxirane-2-carboxylate
CID 18471262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate?
The IUPAC name of ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate (CID 10631903) is ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate?
The canonical SMILES for ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate is CCOC(=O)C1(CNC(C)(C)C)CO1.
What is the InChIKey of ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate?
The InChIKey is ATUMQYOPPVVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-13-8(12)10(7-14-10)6-11-9(2,3)4/h11H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate?
ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(tert-butylamino)methyl]oxirane-2-carboxylate is sourced from PubChem (CID 10631903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).