(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride

C9H11ClN2O — CID 171260279

IUPAC(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cccc(O)c1
InChIInChI=1S/C9H10N2O.ClH/c10-5-4-9(11)7-2-1-3-8(12)6-7;/h1-3,6,9,12H,4,11H2;1H/t9-;/m1./s1
InChIKeyQQXVWQHWSXWUNP-SBSPUUFOSA-N
MW198.65 g/mol
LogP1.73
Rot. Bonds2

About (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride

(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride (PubChem CID 171260279) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
PubChem CID171260279
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1cccc(O)c1
InChIInChI=1S/C9H10N2O.ClH/c10-5-4-9(11)7-2-1-3-8(12)6-7;/h1-3,6,9,12H,4,11H2;1H/t9-;/m1./s1
InChIKeyQQXVWQHWSXWUNP-SBSPUUFOSA-N
XLogP1.73
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[3-(difluoromethyl)phenyl]propanenitrile
CID 55269014
(3S)-3-amino-3-(3-methylphenyl)propanenitrile;hydrochloride
CID 171260081
3-amino-3-(3-sulfanylphenyl)propanenitrile
CID 55295532
(3R)-3-amino-3-(3-sulfanylphenyl)propanenitrile
CID 130631108
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-(3-hydroxyphenyl)butanenitrile
CID 77440133
3-amino-3-[3-(cyanomethyl)phenyl]propanenitrile
CID 55272972
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
methyl 3-[(1S)-1-amino-2-cyanoethyl]benzoate;hydrochloride
CID 171260170
(3S)-3-amino-3-(3-nitrophenyl)propanenitrile;hydrochloride
CID 171259803
3-fluoro-2-(3-hydroxyphenyl)propanenitrile
CID 131606676
3-[(1R)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171198533

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride (CID 171260279) is (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride is Cl.N#CC[C@@H](N)c1cccc(O)c1.
What is the InChIKey of (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride?
The InChIKey is QQXVWQHWSXWUNP-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H10N2O.ClH/c10-5-4-9(11)7-2-1-3-8(12)6-7;/h1-3,6,9,12H,4,11H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 171260279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).