(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide

C8H14N2O2 — CID 130677348

IUPAC(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide
SMILESCCC(C)(C#N)NC(=O)[C@@H](C)O
InChIInChI=1S/C8H14N2O2/c1-4-8(3,5-9)10-7(12)6(2)11/h6,11H,4H2,1-3H3,(H,10,12)/t6-,8?/m1/s1
InChIKeyZKTPRAXBJKYVGJ-XPJFZRNWSA-N
MW170.21 g/mol
LogP0.18
Rot. Bonds3

About (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide

(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide (PubChem CID 130677348) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide
PubChem CID130677348
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide
SMILESCCC(C)(C#N)NC(=O)[C@@H](C)O
InChIInChI=1S/C8H14N2O2/c1-4-8(3,5-9)10-7(12)6(2)11/h6,11H,4H2,1-3H3,(H,10,12)/t6-,8?/m1/s1
InChIKeyZKTPRAXBJKYVGJ-XPJFZRNWSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide (CID 130677348) is (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide is CCC(C)(C#N)NC(=O)[C@@H](C)O.
What is the InChIKey of (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide?
The InChIKey is ZKTPRAXBJKYVGJ-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-8(3,5-9)10-7(12)6(2)11/h6,11H,4H2,1-3H3,(H,10,12)/t6-,8?/m1/s1.
What are the key properties of (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide?
(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide has a molecular weight of 170.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide is sourced from PubChem (CID 130677348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).