2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide

C6H10N2O3 — CID 18954372

IUPAC2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C6H10N2O3/c7-5(10)6(11)8-2-1-4(9)3-8/h4,9H,1-3H2,(H2,7,10)
InChIKeyFYNNOTCVMQPHTO-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.94
Rot. Bonds

About 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide

2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide (PubChem CID 18954372) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
PubChem CID18954372
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(O)C1
InChIInChI=1S/C6H10N2O3/c7-5(10)6(11)8-2-1-4(9)3-8/h4,9H,1-3H2,(H2,7,10)
InChIKeyFYNNOTCVMQPHTO-UHFFFAOYSA-N
XLogP-1.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide (CID 18954372) is 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide is NC(=O)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
The InChIKey is FYNNOTCVMQPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-5(10)6(11)8-2-1-4(9)3-8/h4,9H,1-3H2,(H2,7,10).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide?
2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide has a molecular weight of 158.16 g/mol, XLogP of -1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 18954372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).