N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide

C8H14N2O2 — CID 43558924

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide
SMILESCC(C)C(C)(C#N)NC(=O)CO
InChIInChI=1S/C8H14N2O2/c1-6(2)8(3,5-9)10-7(12)4-11/h6,11H,4H2,1-3H3,(H,10,12)
InChIKeyMXNOBWFKJTYWNX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.03
Rot. Bonds3

About N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide

N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide (PubChem CID 43558924) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide
PubChem CID43558924
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide
SMILESCC(C)C(C)(C#N)NC(=O)CO
InChIInChI=1S/C8H14N2O2/c1-6(2)8(3,5-9)10-7(12)4-11/h6,11H,4H2,1-3H3,(H,10,12)
InChIKeyMXNOBWFKJTYWNX-UHFFFAOYSA-N
XLogP0.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-1,2-dimethylpropyl)-2-hydroxypropanamide
CID 18700272
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl]acetamide
CID 19350089
N-(2-cyano-3-methylbutan-2-yl)-2-methoxyacetamide
CID 139799184
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
N-[(1S)-1-Cyano-2-hydroxy-1-methylethyl]-2-methylpropanamide
CID 11423823
N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide
CID 43558923
2-cyano-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylbutanamide
CID 81963652
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 103944745
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
CID 107857128
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 107857134
(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide
CID 130616401
(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide
CID 130677348

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide (CID 43558924) is N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide is CC(C)C(C)(C#N)NC(=O)CO.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide?
The InChIKey is MXNOBWFKJTYWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)8(3,5-9)10-7(12)4-11/h6,11H,4H2,1-3H3,(H,10,12).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide has a molecular weight of 170.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide is sourced from PubChem (CID 43558924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).