(2S,3S)-2,3-dihydroxybutanedinitrile

C4H4N2O2 — CID 102473790

IUPAC(2S,3S)-2,3-dihydroxybutanedinitrile
SMILESN#C[C@H](O)[C@@H](O)C#N
InChIInChI=1S/C4H4N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H/t3-,4-/m0/s1
InChIKeyRNYXHSLVKXGAFG-IMJSIDKUSA-N
MW112.09 g/mol
LogP-1.24
Rot. Bonds1

About (2S,3S)-2,3-dihydroxybutanedinitrile

(2S,3S)-2,3-dihydroxybutanedinitrile (PubChem CID 102473790) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxybutanedinitrile.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxybutanedinitrile
PubChem CID102473790
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name(2S,3S)-2,3-dihydroxybutanedinitrile
SMILESN#C[C@H](O)[C@@H](O)C#N
InChIInChI=1S/C4H4N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H/t3-,4-/m0/s1
InChIKeyRNYXHSLVKXGAFG-IMJSIDKUSA-N
XLogP-1.24
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S)-2,3-dihydroxybutanedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Dicyano-2-propanol
CID 361762
3,4-Dihydroxybutanenitrile
CID 10964423
2,3-Dihydroxypropanenitrile
CID 13170124
2-Hydroxybutanedinitrile
CID 21253562
2,3-Dihydroxysuccinonitrile
CID 22753607
(S)-3,4-Dihydroxybutanenitrile
CID 24820172
2,3,4-Trihydroxybutanenitrile
CID 87527569
2,3-Dihydroxybutanenitrile
CID 88153938
2-Fluoro-2,3-dihydroxybutanedinitrile
CID 89493627
(2R,3S)-2,3-dihydroxybutanedinitrile
CID 102473788
(3R)-3,4-Dihydroxybutanenitrile
CID 13779898
3,4-Dihydroxyhexanedinitrile
CID 15115610

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxybutanedinitrile?
The IUPAC name of (2S,3S)-2,3-dihydroxybutanedinitrile (CID 102473790) is (2S,3S)-2,3-dihydroxybutanedinitrile.
What is the SMILES notation for (2S,3S)-2,3-dihydroxybutanedinitrile?
The canonical SMILES for (2S,3S)-2,3-dihydroxybutanedinitrile is N#C[C@H](O)[C@@H](O)C#N.
What is the InChIKey of (2S,3S)-2,3-dihydroxybutanedinitrile?
The InChIKey is RNYXHSLVKXGAFG-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-2,3-dihydroxybutanedinitrile?
(2S,3S)-2,3-dihydroxybutanedinitrile has a molecular weight of 112.09 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxybutanedinitrile is sourced from PubChem (CID 102473790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).