(3S)-3-amino-2-methylbutan-2-ol;hydrochloride

C5H14ClNO — CID 73424833

IUPAC(3S)-3-amino-2-methylbutan-2-ol;hydrochloride
SMILESC[C@H](N)C(C)(C)O.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(6)5(2,3)7;/h4,7H,6H2,1-3H3;1H/t4-;/m0./s1
InChIKeyYURXCUVDCIDDHM-WCCKRBBISA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds1

About (3S)-3-amino-2-methylbutan-2-ol;hydrochloride

(3S)-3-amino-2-methylbutan-2-ol;hydrochloride (PubChem CID 73424833) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (3S)-3-amino-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2-methylbutan-2-ol;hydrochloride
PubChem CID73424833
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(3S)-3-amino-2-methylbutan-2-ol;hydrochloride
SMILESC[C@H](N)C(C)(C)O.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(6)5(2,3)7;/h4,7H,6H2,1-3H3;1H/t4-;/m0./s1
InChIKeyYURXCUVDCIDDHM-WCCKRBBISA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.63
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-2-methylbutan-2-ol;hydrochloride 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 (3S)-3-amino-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2-methylbutan-2-ol;hydrochloride (CID 73424833) is (3S)-3-amino-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2-methylbutan-2-ol;hydrochloride is C[C@H](N)C(C)(C)O.Cl.
What is the InChIKey of (3S)-3-amino-2-methylbutan-2-ol;hydrochloride?
The InChIKey is YURXCUVDCIDDHM-WCCKRBBISA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-4(6)5(2,3)7;/h4,7H,6H2,1-3H3;1H/t4-;/m0./s1.
What are the key properties of (3S)-3-amino-2-methylbutan-2-ol;hydrochloride?
(3S)-3-amino-2-methylbutan-2-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 73424833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).