(2S)-2-amino-3-methylbutan-1-ol;hydrochloride

C5H14ClNO — CID 24802562

IUPAC(2S)-2-amino-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)[C@H](N)CO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyCYONGLLQMUYOPP-NUBCRITNSA-N
MW139.63 g/mol
LogP0.38
Rot. Bonds2

About (2S)-2-amino-3-methylbutan-1-ol;hydrochloride

(2S)-2-amino-3-methylbutan-1-ol;hydrochloride (PubChem CID 24802562) has the molecular formula C5H14ClNO and a molecular weight of 139.63 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutan-1-ol;hydrochloride
PubChem CID24802562
Molecular FormulaC5H14ClNO
Molecular Weight139.63 g/mol
Exact Mass139.08
IUPAC Name(2S)-2-amino-3-methylbutan-1-ol;hydrochloride
SMILESCC(C)[C@H](N)CO.Cl
InChIInChI=1S/C5H13NO.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyCYONGLLQMUYOPP-NUBCRITNSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-butanol
CID 22129
L-Leucinol
CID 111307
L-Valinol
CID 640993
2-Amino-1-butanol, (-)-
CID 2723856
D(-)-Leucinol
CID 2724002
2-Amino-1-butanol, (+)-
CID 120084
Valinol
CID 79019
2-Amino-3-methylpentan-1-ol
CID 91202
(2S)-2-Amino-3,3-dimethyl-1-butanol
CID 2734079
2-Amino-4-methylpentan-1-ol
CID 79030
2-Amino-3,3-dimethylbutan-1-ol
CID 4149212
D-Valinol
CID 6950587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;hydrochloride (CID 24802562) is (2S)-2-amino-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methylbutan-1-ol;hydrochloride is CC(C)[C@H](N)CO.Cl.
What is the InChIKey of (2S)-2-amino-3-methylbutan-1-ol;hydrochloride?
The InChIKey is CYONGLLQMUYOPP-NUBCRITNSA-N. The full InChI is InChI=1S/C5H13NO.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2S)-2-amino-3-methylbutan-1-ol;hydrochloride?
(2S)-2-amino-3-methylbutan-1-ol;hydrochloride has a molecular weight of 139.63 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 24802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).