(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate

C9H13NO6 — CID 59499271

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate
SMILESCOCC(OC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-14-5-6(15-2)9(13)16-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3
InChIKeyNHNKQLBWRRPRSU-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.75
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate

(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate (PubChem CID 59499271) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate
PubChem CID59499271
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate
SMILESCOCC(OC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H13NO6/c1-14-5-6(15-2)9(13)16-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3
InChIKeyNHNKQLBWRRPRSU-UHFFFAOYSA-N
XLogP-0.75
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
1-O-(2,3-dimethoxypropyl) 3-O-(2,5-dioxopyrrolidin-1-yl) 2-butylpropanedioate
CID 88945030
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
CID 19911288
3-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(methoxymethyl) propanedioate
CID 159591316
(2,5-dioxopyrrolidin-1-yl) 2-methylpentanoate
CID 11206648
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 51340983
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 89254876
(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
CID 123740028
(2,5-dioxopyrrolidin-1-yl) 2-acetyloxyhexadecanoate
CID 72989073

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate (CID 59499271) is (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate is COCC(OC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate?
The InChIKey is NHNKQLBWRRPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6/c1-14-5-6(15-2)9(13)16-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate?
(2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate has a molecular weight of 231.20 g/mol, XLogP of -0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,3-dimethoxypropanoate is sourced from PubChem (CID 59499271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).