(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate

C6H7NO5 — CID 68795454

IUPAC(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate
SMILESO=C1CC(OC(=O)CO)C(=O)N1
InChIInChI=1S/C6H7NO5/c8-2-5(10)12-3-1-4(9)7-6(3)11/h3,8H,1-2H2,(H,7,9,11)
InChIKeySNSYVWBXTRZQOF-UHFFFAOYSA-N
MW173.12 g/mol
LogP-2.06
Rot. Bonds2

About (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate

(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate (PubChem CID 68795454) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate
PubChem CID68795454
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate
SMILESO=C1CC(OC(=O)CO)C(=O)N1
InChIInChI=1S/C6H7NO5/c8-2-5(10)12-3-1-4(9)7-6(3)11/h3,8H,1-2H2,(H,7,9,11)
InChIKeySNSYVWBXTRZQOF-UHFFFAOYSA-N
XLogP-2.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dioxopyrrolidin-3-yl acetate
CID 10866587
2,5-Pyrrolidinedione, 3-(acetyloxy)-, (3S)-
CID 10931693
Tartarimide
CID 18695152
(Acetoxyacetoxy)succinimide
CID 129816893
4-Carboxymethoxypyrrolidone
CID 134821209
(4-Acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate
CID 4695300
2,3-cis-Diacetoxysuccinimide
CID 16753700
(2,5-Dioxopyrrolidin-3-yl) hydrogen carbonate
CID 17764973
(3,4-Dihydroxy-2,5-dioxopyrrolidin-3-yl) hydrogen carbonate
CID 17985507
2-(2-Hydroxybutanoyloxy)acetic acid;3-hydroxypyrrolidine-2,5-dione
CID 22238779
cis-3,4-Dihydroxy-2,5-pyrrolidinedione
CID 49793374
Carbonic acid;3-hydroxypyrrolidine-2,5-dione
CID 66582275

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate (CID 68795454) is (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate is O=C1CC(OC(=O)CO)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate?
The InChIKey is SNSYVWBXTRZQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c8-2-5(10)12-3-1-4(9)7-6(3)11/h3,8H,1-2H2,(H,7,9,11).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate?
(2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate has a molecular weight of 173.12 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 2-hydroxyacetate is sourced from PubChem (CID 68795454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).