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

C6H5NO5 — CID 58362051

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
SMILESO=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H5NO5/c8-3-6(11)12-7-4(9)1-2-5(7)10/h3H,1-2H2
InChIKeyZWMFFTQRSNVZLT-UHFFFAOYSA-N
MW171.11 g/mol
LogP-1.21
Rot. Bonds2

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

(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate (PubChem CID 58362051) has the molecular formula C6H5NO5 and a molecular weight of 171.11 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
PubChem CID58362051
Molecular FormulaC6H5NO5
Molecular Weight171.11 g/mol
Exact Mass171.02
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
SMILESO=CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H5NO5/c8-3-6(11)12-7-4(9)1-2-5(7)10/h3H,1-2H2
InChIKeyZWMFFTQRSNVZLT-UHFFFAOYSA-N
XLogP-1.21
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(Z)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobut-2-enoic acid
CID 87272120
(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrolidin-1-yl)oxyprop-2-enoate
CID 131637407
(2,5-dioxopyrrolidin-1-yl) prop-2-enoate;phosphoric acid
CID 174926925
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) 3-(2-chlorophenyl)prop-2-enoate
CID 4777919
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate (CID 58362051) is (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate is O=CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate?
The InChIKey is ZWMFFTQRSNVZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO5/c8-3-6(11)12-7-4(9)1-2-5(7)10/h3H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-oxoacetate?
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate has a molecular weight of 171.11 g/mol, XLogP of -1.21, 2 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-oxoacetate is sourced from PubChem (CID 58362051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).