dipropyl 2-methyliminopropanedioate

C10H17NO4 — CID 170230241

IUPACdipropyl 2-methyliminopropanedioate
SMILESCCCOC(=O)C(=NC)C(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-14-9(12)8(11-3)10(13)15-7-5-2/h4-7H2,1-3H3
InChIKeyYXGQNJLKOAIZTR-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.96
Rot. Bonds6

About dipropyl 2-methyliminopropanedioate

dipropyl 2-methyliminopropanedioate (PubChem CID 170230241) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is dipropyl 2-methyliminopropanedioate.

Molecular Properties

Compound Namedipropyl 2-methyliminopropanedioate
PubChem CID170230241
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namedipropyl 2-methyliminopropanedioate
SMILESCCCOC(=O)C(=NC)C(=O)OCCC
InChIInChI=1S/C10H17NO4/c1-4-6-14-9(12)8(11-3)10(13)15-7-5-2/h4-7H2,1-3H3
InChIKeyYXGQNJLKOAIZTR-UHFFFAOYSA-N
XLogP0.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropyl 2-methyliminopropanedioate?
The IUPAC name of dipropyl 2-methyliminopropanedioate (CID 170230241) is dipropyl 2-methyliminopropanedioate.
What is the SMILES notation for dipropyl 2-methyliminopropanedioate?
The canonical SMILES for dipropyl 2-methyliminopropanedioate is CCCOC(=O)C(=NC)C(=O)OCCC.
What is the InChIKey of dipropyl 2-methyliminopropanedioate?
The InChIKey is YXGQNJLKOAIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-14-9(12)8(11-3)10(13)15-7-5-2/h4-7H2,1-3H3.
What are the key properties of dipropyl 2-methyliminopropanedioate?
dipropyl 2-methyliminopropanedioate has a molecular weight of 215.25 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-methyliminopropanedioate is sourced from PubChem (CID 170230241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).