(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide

C9H16N2O2 — CID 130652140

IUPAC(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O2/c1-6(2)7(12)8(13)11-9(3,4)5-10/h6-7,12H,1-4H3,(H,11,13)/t7-/m0/s1
InChIKeyVTCXWRMPVBFFMC-ZETCQYMHSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds3

About (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide

(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide (PubChem CID 130652140) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide
PubChem CID130652140
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)NC(C)(C)C#N
InChIInChI=1S/C9H16N2O2/c1-6(2)7(12)8(13)11-9(3,4)5-10/h6-7,12H,1-4H3,(H,11,13)/t7-/m0/s1
InChIKeyVTCXWRMPVBFFMC-ZETCQYMHSA-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

N-tert-butyl-2-hydroxybutanamide
CID 89249802
N-tert-butyl-2-hydroxy-3-methylbutanamide
CID 12066046
N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
CID 12518936
N-(1-Cyano-1,2-dimethylpropyl)-2-hydroxypropanamide
CID 18700272
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
CID 43500976
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
N-(2,4-dimethylpentan-2-yl)-2-hydroxypropanamide
CID 144058637
(2S)-N-tert-butyl-2-hydroxybutanamide
CID 177078677
N-[(1S)-1-Cyano-2-hydroxy-1-methylethyl]-2-methylpropanamide
CID 11423823
(2R)-N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
CID 12518937
(2S)-N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
CID 12518938
N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
CID 39236458

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide (CID 130652140) is (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide is CC(C)[C@H](O)C(=O)NC(C)(C)C#N.
What is the InChIKey of (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide?
The InChIKey is VTCXWRMPVBFFMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)7(12)8(13)11-9(3,4)5-10/h6-7,12H,1-4H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide?
(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide 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 (2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 130652140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).