2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid

C7H11NO4 — CID 131106261

IUPAC2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
SMILESCC1CN(C(=O)C(=O)O)CC1O
InChIInChI=1S/C7H11NO4/c1-4-2-8(3-5(4)9)6(10)7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyZLWIGOCRBSUFDZ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.09
Rot. Bonds

About 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid

2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid (PubChem CID 131106261) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
PubChem CID131106261
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
SMILESCC1CN(C(=O)C(=O)O)CC1O
InChIInChI=1S/C7H11NO4/c1-4-2-8(3-5(4)9)6(10)7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12)
InChIKeyZLWIGOCRBSUFDZ-UHFFFAOYSA-N
XLogP-1.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid (CID 131106261) is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid is CC1CN(C(=O)C(=O)O)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid?
The InChIKey is ZLWIGOCRBSUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4-2-8(3-5(4)9)6(10)7(11)12/h4-5,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid?
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid has a molecular weight of 173.17 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid is sourced from PubChem (CID 131106261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).