(2S,3S)-2-amino-3-hydroxybutanedinitrile

C4H5N3O — CID 89261510

IUPAC(2S,3S)-2-amino-3-hydroxybutanedinitrile
SMILESN#C[C@@H](O)[C@@H](N)C#N
InChIInChI=1S/C4H5N3O/c5-1-3(7)4(8)2-6/h3-4,8H,7H2/t3-,4+/m0/s1
InChIKeyGUDRHRWLOZLXPJ-IUYQGCFVSA-N
MW111.10 g/mol
LogP-1.28
Rot. Bonds1

About (2S,3S)-2-amino-3-hydroxybutanedinitrile

(2S,3S)-2-amino-3-hydroxybutanedinitrile (PubChem CID 89261510) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-hydroxybutanedinitrile.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-hydroxybutanedinitrile
PubChem CID89261510
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name(2S,3S)-2-amino-3-hydroxybutanedinitrile
SMILESN#C[C@@H](O)[C@@H](N)C#N
InChIInChI=1S/C4H5N3O/c5-1-3(7)4(8)2-6/h3-4,8H,7H2/t3-,4+/m0/s1
InChIKeyGUDRHRWLOZLXPJ-IUYQGCFVSA-N
XLogP-1.28
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-hydroxybutanedinitrile?
The IUPAC name of (2S,3S)-2-amino-3-hydroxybutanedinitrile (CID 89261510) is (2S,3S)-2-amino-3-hydroxybutanedinitrile.
What is the SMILES notation for (2S,3S)-2-amino-3-hydroxybutanedinitrile?
The canonical SMILES for (2S,3S)-2-amino-3-hydroxybutanedinitrile is N#C[C@@H](O)[C@@H](N)C#N.
What is the InChIKey of (2S,3S)-2-amino-3-hydroxybutanedinitrile?
The InChIKey is GUDRHRWLOZLXPJ-IUYQGCFVSA-N. The full InChI is InChI=1S/C4H5N3O/c5-1-3(7)4(8)2-6/h3-4,8H,7H2/t3-,4+/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-hydroxybutanedinitrile?
(2S,3S)-2-amino-3-hydroxybutanedinitrile has a molecular weight of 111.10 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-hydroxybutanedinitrile is sourced from PubChem (CID 89261510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).