(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate

C7H9NO5 — CID 10352427

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
SMILESCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H9NO5/c1-12-4-7(11)13-8-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyKDVRYSGGAUUSIE-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.76
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate

(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate (PubChem CID 10352427) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
PubChem CID10352427
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
SMILESCOCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H9NO5/c1-12-4-7(11)13-8-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyKDVRYSGGAUUSIE-UHFFFAOYSA-N
XLogP-0.76
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N-succinimidoxyacetate
CID 100723
Bis(2,5-dioxopyrrolidin-1-yl) 2,2'-oxydiacetate
CID 51340992
methyl N-succinimidoxyacetate
CID 133200
2,5-Dioxopyrrolidin-1-yl 2-(2-methoxyethoxy)acetate
CID 20596397
3,6,9,12-Tetraoxatridecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CID 58067983
HO-Peg-CH2CO2-nhs
CID 58312478
Poly(oxy-1,2-ethanediyl), alpha-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-omega-methoxy-
CID 59130156
2,5-Dioxopyrrolidin-1-yl 2-acetoxyacetate
CID 11042130
N-(1-Ethoxyethylidene)-2-aminooxyacetic acid N-hydroxysuccinimidyl ester
CID 24787101
(2,5-Dioxopyrrolidin-1-yl) 2,2-diethoxypropanoate
CID 13702399
2-O-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl oxalate
CID 20310804
1-(2,5-Dioxopyrrolidin-1-yl)oxypropan-2-yl 2-ethoxyacetate
CID 20645209

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate (CID 10352427) is (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate is COCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The InChIKey is KDVRYSGGAUUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-12-4-7(11)13-8-5(9)2-3-6(8)10/h2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate has a molecular weight of 187.15 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate is sourced from PubChem (CID 10352427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).