2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide

C6H12N2O3 — CID 79410228

IUPAC2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C6H12N2O3/c7-6(11)3-8-1-4(9)5(10)2-8/h4-5,9-10H,1-3H2,(H2,7,11)/t4-,5+
InChIKeyVTUWRFGLVLROBW-SYDPRGILSA-N
MW160.17 g/mol
LogP-2.49
Rot. Bonds2

About 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide (PubChem CID 79410228) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
PubChem CID79410228
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C6H12N2O3/c7-6(11)3-8-1-4(9)5(10)2-8/h4-5,9-10H,1-3H2,(H2,7,11)/t4-,5+
InChIKeyVTUWRFGLVLROBW-SYDPRGILSA-N
XLogP-2.49
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide 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-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide (CID 79410228) is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide is NC(=O)CN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
The InChIKey is VTUWRFGLVLROBW-SYDPRGILSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-6(11)3-8-1-4(9)5(10)2-8/h4-5,9-10H,1-3H2,(H2,7,11)/t4-,5+.
What are the key properties of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide?
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide has a molecular weight of 160.17 g/mol, XLogP of -2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79410228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).