(2R)-2-amino-2-methylbutan-1-ol;hydrochloride

C5H14ClNO — CID 90072360

IUPAC(2R)-2-amino-2-methylbutan-1-ol;hydrochloride
SMILESCC[C@@](C)(N)CO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(2,6)4-7;/h7H,3-4,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyIITRUVQGNUXQQF-NUBCRITNSA-N
MW139.63 g/mol
LogP0.53
Rot. Bonds2

About (2R)-2-amino-2-methylbutan-1-ol;hydrochloride

(2R)-2-amino-2-methylbutan-1-ol;hydrochloride (PubChem CID 90072360) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (2R)-2-amino-2-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-methylbutan-1-ol;hydrochloride
PubChem CID90072360
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(2R)-2-amino-2-methylbutan-1-ol;hydrochloride
SMILESCC[C@@](C)(N)CO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-3-5(2,6)4-7;/h7H,3-4,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyIITRUVQGNUXQQF-NUBCRITNSA-N
XLogP0.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylbutan-1-ol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-methylbutan-1-ol;hydrochloride (CID 90072360) is (2R)-2-amino-2-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-methylbutan-1-ol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-methylbutan-1-ol;hydrochloride is CC[C@@](C)(N)CO.Cl.
What is the InChIKey of (2R)-2-amino-2-methylbutan-1-ol;hydrochloride?
The InChIKey is IITRUVQGNUXQQF-NUBCRITNSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-3-5(2,6)4-7;/h7H,3-4,6H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-2-amino-2-methylbutan-1-ol;hydrochloride?
(2R)-2-amino-2-methylbutan-1-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 90072360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).