(3S)-3-aminobutanenitrile;hydrochloride

C4H9ClN2 — CID 91933721

IUPAC(3S)-3-aminobutanenitrile;hydrochloride
SMILESC[C@H](N)CC#N.Cl
InChIInChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1
InChIKeyYUOMYYHJZHVWDF-WCCKRBBISA-N
MW120.58 g/mol
LogP0.67
Rot. Bonds1

About (3S)-3-aminobutanenitrile;hydrochloride

(3S)-3-aminobutanenitrile;hydrochloride (PubChem CID 91933721) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is (3S)-3-aminobutanenitrile;hydrochloride.

Molecular Properties

Compound Name(3S)-3-aminobutanenitrile;hydrochloride
PubChem CID91933721
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC Name(3S)-3-aminobutanenitrile;hydrochloride
SMILESC[C@H](N)CC#N.Cl
InChIInChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1
InChIKeyYUOMYYHJZHVWDF-WCCKRBBISA-N
XLogP0.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminobutanenitrile;hydrochloride?
The IUPAC name of (3S)-3-aminobutanenitrile;hydrochloride (CID 91933721) is (3S)-3-aminobutanenitrile;hydrochloride.
What is the SMILES notation for (3S)-3-aminobutanenitrile;hydrochloride?
The canonical SMILES for (3S)-3-aminobutanenitrile;hydrochloride is C[C@H](N)CC#N.Cl.
What is the InChIKey of (3S)-3-aminobutanenitrile;hydrochloride?
The InChIKey is YUOMYYHJZHVWDF-WCCKRBBISA-N. The full InChI is InChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1.
What are the key properties of (3S)-3-aminobutanenitrile;hydrochloride?
(3S)-3-aminobutanenitrile;hydrochloride has a molecular weight of 120.58 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminobutanenitrile;hydrochloride is sourced from PubChem (CID 91933721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).