dipropan-2-yl 2-methyliminopropanedioate

C10H17NO4 — CID 135382611

IUPACdipropan-2-yl 2-methyliminopropanedioate
SMILESCN=C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C10H17NO4/c1-6(2)14-9(12)8(11-5)10(13)15-7(3)4/h6-7H,1-5H3
InChIKeyLBISZAAETRWCRD-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.96
Rot. Bonds4

About dipropan-2-yl 2-methyliminopropanedioate

dipropan-2-yl 2-methyliminopropanedioate (PubChem CID 135382611) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is dipropan-2-yl 2-methyliminopropanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-methyliminopropanedioate
PubChem CID135382611
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namedipropan-2-yl 2-methyliminopropanedioate
SMILESCN=C(C(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C10H17NO4/c1-6(2)14-9(12)8(11-5)10(13)15-7(3)4/h6-7H,1-5H3
InChIKeyLBISZAAETRWCRD-UHFFFAOYSA-N
XLogP0.96
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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 dipropan-2-yl 2-methyliminopropanedioate?
The IUPAC name of dipropan-2-yl 2-methyliminopropanedioate (CID 135382611) is dipropan-2-yl 2-methyliminopropanedioate.
What is the SMILES notation for dipropan-2-yl 2-methyliminopropanedioate?
The canonical SMILES for dipropan-2-yl 2-methyliminopropanedioate is CN=C(C(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-methyliminopropanedioate?
The InChIKey is LBISZAAETRWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)14-9(12)8(11-5)10(13)15-7(3)4/h6-7H,1-5H3.
What are the key properties of dipropan-2-yl 2-methyliminopropanedioate?
dipropan-2-yl 2-methyliminopropanedioate has a molecular weight of 215.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-methyliminopropanedioate is sourced from PubChem (CID 135382611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).