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

C9H16N2O2 — CID 18700272

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C9H16N2O2/c1-6(2)9(4,5-10)11-8(13)7(3)12/h6-7,12H,1-4H3,(H,11,13)
InChIKeyLEZJIYDWHLRMGV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds3

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

N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide (PubChem CID 18700272) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
PubChem CID18700272
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
SMILESCC(O)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C9H16N2O2/c1-6(2)9(4,5-10)11-8(13)7(3)12/h6-7,12H,1-4H3,(H,11,13)
InChIKeyLEZJIYDWHLRMGV-UHFFFAOYSA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide
CID 2481427
[2-(tert-butylamino)-2-oxoethyl]-[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-methylazanium
CID 8767719
(2R)-2-(4-bromoanilino)-N-[(2S)-2-cyano-3-methylbutan-2-yl]propanamide
CID 39747498
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 66228331
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 9207730
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 9433393
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772067
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772069

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide (CID 18700272) is N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide is CC(O)C(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide?
The InChIKey is LEZJIYDWHLRMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)9(4,5-10)11-8(13)7(3)12/h6-7,12H,1-4H3,(H,11,13).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide?
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide has a molecular weight of 184.24 g/mol, XLogP of 0.42, 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-hydroxypropanamide is sourced from PubChem (CID 18700272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).