[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium

C5H14NO+ — CID 6950585

IUPAC[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium
SMILESCC(C)[C@H]([NH3+])CO
InChIInChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/p+1/t5-/m1/s1
InChIKeyNWYYWIJOWOLJNR-RXMQYKEDSA-O
MW104.17 g/mol
LogP-0.75
Rot. Bonds2

About [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium

[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium (PubChem CID 6950585) has the molecular formula C5H14NO+ and a molecular weight of 104.17 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium
PubChem CID6950585
Molecular FormulaC5H14NO+
Molecular Weight104.17 g/mol
Exact Mass104.11
IUPAC Name[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium
SMILESCC(C)[C@H]([NH3+])CO
InChIInChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/p+1/t5-/m1/s1
InChIKeyNWYYWIJOWOLJNR-RXMQYKEDSA-O
XLogP-0.75
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium (CID 6950585) is [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium is CC(C)[C@H]([NH3+])CO.
What is the InChIKey of [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium?
The InChIKey is NWYYWIJOWOLJNR-RXMQYKEDSA-O. The full InChI is InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/p+1/t5-/m1/s1.
What are the key properties of [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium?
[(2S)-1-hydroxy-3-methylbutan-2-yl]azanium has a molecular weight of 104.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-methylbutan-2-yl]azanium is sourced from PubChem (CID 6950585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).