(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide

C6H10N2O2 — CID 55284755

IUPAC(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
SMILESC[C@@H](C#N)[C@@](C)(O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(3-7)6(2,10)5(8)9/h4,10H,1-2H3,(H2,8,9)/t4-,6+/m0/s1
InChIKeyGJYUKKDFOLOSGM-UJURSFKZSA-N
MW142.16 g/mol
LogP-0.62
Rot. Bonds2

About (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide

(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide (PubChem CID 55284755) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
PubChem CID55284755
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
SMILESC[C@@H](C#N)[C@@](C)(O)C(N)=O
InChIInChI=1S/C6H10N2O2/c1-4(3-7)6(2,10)5(8)9/h4,10H,1-2H3,(H2,8,9)/t4-,6+/m0/s1
InChIKeyGJYUKKDFOLOSGM-UJURSFKZSA-N
XLogP-0.62
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (3S,4S)-4-cyano-3-methylpentanoate
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3-aminosulfanyl-2,3-dimethylbutanenitrile
CID 174965990
2-cyanopropyl acetate
CID 86172500
3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
CID 79131246
2,3,3,4,4-pentamethylpentanenitrile
CID 130181937
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
2-cyano-3-hydroxy-3-methylpentanediamide
CID 54050427
3-(1-cyanoethylsulfonylamino)-2,2-dimethylpropanamide
CID 106277324
2-cyano-2-(dimethylamino)acetamide
CID 87781321
1-cyanoethylurea
CID 61124202
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide?
The IUPAC name of (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide (CID 55284755) is (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide.
What is the SMILES notation for (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide?
The canonical SMILES for (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide is C[C@@H](C#N)[C@@](C)(O)C(N)=O.
What is the InChIKey of (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide?
The InChIKey is GJYUKKDFOLOSGM-UJURSFKZSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(3-7)6(2,10)5(8)9/h4,10H,1-2H3,(H2,8,9)/t4-,6+/m0/s1.
What are the key properties of (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide?
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide has a molecular weight of 142.16 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide is sourced from PubChem (CID 55284755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).