2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide

C6H10N2O4 — CID 22267668

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C6H10N2O4/c7-5(11)6(12)8-1-3(9)4(10)2-8/h3-4,9-10H,1-2H2,(H2,7,11)
InChIKeyKNURYCKOCDIFDN-UHFFFAOYSA-N
MW174.16 g/mol
LogP-2.96
Rot. Bonds

About 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide (PubChem CID 22267668) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide
PubChem CID22267668
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C6H10N2O4/c7-5(11)6(12)8-1-3(9)4(10)2-8/h3-4,9-10H,1-2H2,(H2,7,11)
InChIKeyKNURYCKOCDIFDN-UHFFFAOYSA-N
XLogP-2.96
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide (CID 22267668) is 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide is NC(=O)C(=O)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide?
The InChIKey is KNURYCKOCDIFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-5(11)6(12)8-1-3(9)4(10)2-8/h3-4,9-10H,1-2H2,(H2,7,11).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide has a molecular weight of 174.16 g/mol, XLogP of -2.96, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 22267668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).