(2S)-2-amino-3-methylbutanoic acid;hydrochloride

C5H12ClNO2 — CID 13000930

IUPAC(2S)-2-amino-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyJETBVOLWZWPMKR-WCCKRBBISA-N
MW153.61 g/mol
LogP0.48
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;hydrochloride

(2S)-2-amino-3-methylbutanoic acid;hydrochloride (PubChem CID 13000930) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;hydrochloride
PubChem CID13000930
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](N)C(=O)O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChIKeyJETBVOLWZWPMKR-WCCKRBBISA-N
XLogP0.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;hydrochloride (CID 13000930) is (2S)-2-amino-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;hydrochloride is CC(C)[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The InChIKey is JETBVOLWZWPMKR-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;hydrochloride?
(2S)-2-amino-3-methylbutanoic acid;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.48, 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-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 13000930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).