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

C6H10N2O2 — CID 115278404

IUPAC2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile
SMILESN#CCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C6H10N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,2-4H2/t5-,6+
InChIKeyMAOQWDQKGAEYSV-OLQVQODUSA-N
MW142.16 g/mol
LogP-1.45
Rot. Bonds1

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

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile (PubChem CID 115278404) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile
PubChem CID115278404
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile
SMILESN#CCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C6H10N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,2-4H2/t5-,6+
InChIKeyMAOQWDQKGAEYSV-OLQVQODUSA-N
XLogP-1.45
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile 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]acetonitrile?
The IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile (CID 115278404) is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile is N#CCN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile?
The InChIKey is MAOQWDQKGAEYSV-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-1-2-8-3-5(9)6(10)4-8/h5-6,9-10H,2-4H2/t5-,6+.
What are the key properties of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile?
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetonitrile has a molecular weight of 142.16 g/mol, XLogP of -1.45, 1 rotatable bonds, 2 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]acetonitrile is sourced from PubChem (CID 115278404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).