2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate

C14H17NO8 — CID 130373332

IUPAC2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate
SMILESC=CC(=O)ON1C(=O)CC(CC(=O)OCCOC(=O)CC)C1=O
InChIInChI=1S/C14H17NO8/c1-3-11(17)21-5-6-22-13(19)8-9-7-10(16)15(14(9)20)23-12(18)4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyAGZJOXILCMTWIY-UHFFFAOYSA-N
MW327.29 g/mol
LogP-0.11
Rot. Bonds8

About 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate

2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate (PubChem CID 130373332) has the molecular formula C14H17NO8 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate.

Molecular Properties

Compound Name2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate
PubChem CID130373332
Molecular FormulaC14H17NO8
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate
SMILESC=CC(=O)ON1C(=O)CC(CC(=O)OCCOC(=O)CC)C1=O
InChIInChI=1S/C14H17NO8/c1-3-11(17)21-5-6-22-13(19)8-9-7-10(16)15(14(9)20)23-12(18)4-2/h4,9H,2-3,5-8H2,1H3
InChIKeyAGZJOXILCMTWIY-UHFFFAOYSA-N
XLogP-0.11
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate?
The IUPAC name of 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate (CID 130373332) is 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate.
What is the SMILES notation for 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate?
The canonical SMILES for 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate is C=CC(=O)ON1C(=O)CC(CC(=O)OCCOC(=O)CC)C1=O.
What is the InChIKey of 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate?
The InChIKey is AGZJOXILCMTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO8/c1-3-11(17)21-5-6-22-13(19)8-9-7-10(16)15(14(9)20)23-12(18)4-2/h4,9H,2-3,5-8H2,1H3.
What are the key properties of 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate?
2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate has a molecular weight of 327.29 g/mol, XLogP of -0.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxo-1-prop-2-enoyloxypyrrolidin-3-yl)acetyl]oxyethyl propanoate is sourced from PubChem (CID 130373332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).