2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate

C10H17NO4 — CID 54402936

IUPAC2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)OCCC1CO1)C(C)=O
InChIInChI=1S/C10H17NO4/c1-7(12)9(11-2)5-10(13)14-4-3-8-6-15-8/h8-9,11H,3-6H2,1-2H3
InChIKeyVOSIYZDHHVBYKS-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.11
Rot. Bonds7

About 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate

2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate (PubChem CID 54402936) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate.

Molecular Properties

Compound Name2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate
PubChem CID54402936
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate
SMILESCNC(CC(=O)OCCC1CO1)C(C)=O
InChIInChI=1S/C10H17NO4/c1-7(12)9(11-2)5-10(13)14-4-3-8-6-15-8/h8-9,11H,3-6H2,1-2H3
InChIKeyVOSIYZDHHVBYKS-UHFFFAOYSA-N
XLogP-0.11
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.11
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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Related Compounds

CID 82322176
CID 82322176
CID 82322186
CID 82322186
CID 88940463
CID 88940463
CID 90136545
CID 90136545
CID 159910567
CID 159910567
CID 160900600
CID 160900600
CID 82322132
CID 82322132
CID 82322133
CID 82322133
CID 82322137
CID 82322137
CID 82322138
CID 82322138
CID 82322139
CID 82322139
CID 82322141
CID 82322141

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate?
The IUPAC name of 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate (CID 54402936) is 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate.
What is the SMILES notation for 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate?
The canonical SMILES for 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate is CNC(CC(=O)OCCC1CO1)C(C)=O.
What is the InChIKey of 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate?
The InChIKey is VOSIYZDHHVBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(12)9(11-2)5-10(13)14-4-3-8-6-15-8/h8-9,11H,3-6H2,1-2H3.
What are the key properties of 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate?
2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate has a molecular weight of 215.25 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)ethyl 3-(methylamino)-4-oxopentanoate is sourced from PubChem (CID 54402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).