propan-2-yl 2-(aziridin-1-yl)acetate

C7H13NO2 — CID 59745119

IUPACpropan-2-yl 2-(aziridin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CC1
InChIInChI=1S/C7H13NO2/c1-6(2)10-7(9)5-8-3-4-8/h6H,3-5H2,1-2H3
InChIKeyFRZLPQHOGKKIRV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds3

About propan-2-yl 2-(aziridin-1-yl)acetate

propan-2-yl 2-(aziridin-1-yl)acetate (PubChem CID 59745119) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is propan-2-yl 2-(aziridin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(aziridin-1-yl)acetate
PubChem CID59745119
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepropan-2-yl 2-(aziridin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CC1
InChIInChI=1S/C7H13NO2/c1-6(2)10-7(9)5-8-3-4-8/h6H,3-5H2,1-2H3
InChIKeyFRZLPQHOGKKIRV-UHFFFAOYSA-N
XLogP0.25
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 propan-2-yl 2-(aziridin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(aziridin-1-yl)acetate (CID 59745119) is propan-2-yl 2-(aziridin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(aziridin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(aziridin-1-yl)acetate is CC(C)OC(=O)CN1CC1.
What is the InChIKey of propan-2-yl 2-(aziridin-1-yl)acetate?
The InChIKey is FRZLPQHOGKKIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)10-7(9)5-8-3-4-8/h6H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2-(aziridin-1-yl)acetate?
propan-2-yl 2-(aziridin-1-yl)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(aziridin-1-yl)acetate is sourced from PubChem (CID 59745119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).