(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride

C4H9ClN2O — CID 140879376

IUPAC(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)CO
InChIInChI=1S/C4H8N2O.ClH/c5-2-1-4(6)3-7;/h4,7H,1,3,6H2;1H/t4-;/m1./s1
InChIKeyAIUSWZITMROXID-PGMHMLKASA-N
MW136.58 g/mol
LogP-0.36
Rot. Bonds2

About (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride

(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride (PubChem CID 140879376) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride
PubChem CID140879376
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)CO
InChIInChI=1S/C4H8N2O.ClH/c5-2-1-4(6)3-7;/h4,7H,1,3,6H2;1H/t4-;/m1./s1
InChIKeyAIUSWZITMROXID-PGMHMLKASA-N
XLogP-0.36
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride (CID 140879376) is (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride is Cl.N#CC[C@@H](N)CO.
What is the InChIKey of (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride?
The InChIKey is AIUSWZITMROXID-PGMHMLKASA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c5-2-1-4(6)3-7;/h4,7H,1,3,6H2;1H/t4-;/m1./s1.
What are the key properties of (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride?
(3R)-3-amino-4-hydroxybutanenitrile;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-hydroxybutanenitrile;hydrochloride is sourced from PubChem (CID 140879376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).