1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate

C10H17NO4 — CID 85373599

IUPAC1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate
SMILESCCCC1C(C(=O)OC)N1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-6-7-8(9(12)14-3)11(7)10(13)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyDDPDNXZNYHTJPT-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds4

About 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate

1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate (PubChem CID 85373599) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate
PubChem CID85373599
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate
SMILESCCCC1C(C(=O)OC)N1C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-6-7-8(9(12)14-3)11(7)10(13)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyDDPDNXZNYHTJPT-UHFFFAOYSA-N
XLogP1.17
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate?
The IUPAC name of 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate (CID 85373599) is 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate?
The canonical SMILES for 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate is CCCC1C(C(=O)OC)N1C(=O)OCC.
What is the InChIKey of 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate?
The InChIKey is DDPDNXZNYHTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-7-8(9(12)14-3)11(7)10(13)15-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate?
1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 2-O-methyl 3-propylaziridine-1,2-dicarboxylate is sourced from PubChem (CID 85373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).