(2S)-2-amino-3-methylbutanenitrile;hydrochloride

C5H11ClN2 — CID 75467573

IUPAC(2S)-2-amino-3-methylbutanenitrile;hydrochloride
SMILESCC(C)[C@H](N)C#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4(2)5(7)3-6;/h4-5H,7H2,1-2H3;1H/t5-;/m1./s1
InChIKeyKXSJOLXKFUAJGR-NUBCRITNSA-N
MW134.61 g/mol
LogP0.92
Rot. Bonds1

About (2S)-2-amino-3-methylbutanenitrile;hydrochloride

(2S)-2-amino-3-methylbutanenitrile;hydrochloride (PubChem CID 75467573) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanenitrile;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanenitrile;hydrochloride
PubChem CID75467573
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name(2S)-2-amino-3-methylbutanenitrile;hydrochloride
SMILESCC(C)[C@H](N)C#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-4(2)5(7)3-6;/h4-5H,7H2,1-2H3;1H/t5-;/m1./s1
InChIKeyKXSJOLXKFUAJGR-NUBCRITNSA-N
XLogP0.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanenitrile;hydrochloride?
The IUPAC name of (2S)-2-amino-3-methylbutanenitrile;hydrochloride (CID 75467573) is (2S)-2-amino-3-methylbutanenitrile;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-methylbutanenitrile;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-methylbutanenitrile;hydrochloride is CC(C)[C@H](N)C#N.Cl.
What is the InChIKey of (2S)-2-amino-3-methylbutanenitrile;hydrochloride?
The InChIKey is KXSJOLXKFUAJGR-NUBCRITNSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-4(2)5(7)3-6;/h4-5H,7H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of (2S)-2-amino-3-methylbutanenitrile;hydrochloride?
(2S)-2-amino-3-methylbutanenitrile;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanenitrile;hydrochloride is sourced from PubChem (CID 75467573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).