2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid

C6H7NO5 — CID 14112493

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)N1C(=O)CCC1=O
InChIInChI=1S/C6H7NO5/c8-3-1-2-4(9)7(3)5(10)6(11)12/h5,10H,1-2H2,(H,11,12)
InChIKeyQVDVHGLRLUHWQR-UHFFFAOYSA-N
MW173.12 g/mol
LogP-1.46
Rot. Bonds2

About 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid

2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid (PubChem CID 14112493) has the molecular formula C6H7NO5 and a molecular weight of 173.12 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
PubChem CID14112493
Molecular FormulaC6H7NO5
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)N1C(=O)CCC1=O
InChIInChI=1S/C6H7NO5/c8-3-1-2-4(9)7(3)5(10)6(11)12/h5,10H,1-2H2,(H,11,12)
InChIKeyQVDVHGLRLUHWQR-UHFFFAOYSA-N
XLogP-1.46
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
CID 139781494
3-(2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanoic acid
CID 165486012
2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione
CID 174888237
(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
CID 96905556
2-(2,6-dioxopiperidin-1-yl)-2-fluoroacetic acid
CID 81296581
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
1-(1,2-dihydroxyethyl)pyrrolidine-2,5-dione
CID 130129765
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
CID 142287139
2-[bis(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylpropanedioic acid
CID 118208289
carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 52987775

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid (CID 14112493) is 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid?
The InChIKey is QVDVHGLRLUHWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5/c8-3-1-2-4(9)7(3)5(10)6(11)12/h5,10H,1-2H2,(H,11,12).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid?
2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid has a molecular weight of 173.12 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 14112493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).