(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile

C9H10N2O — CID 69314072

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile
SMILESN#C[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C9H10N2O/c10-6-8(11)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5,11H2/t8-/m0/s1
InChIKeyVRAUBEZVWJCOIH-QMMMGPOBSA-N
MW162.19 g/mol
LogP0.79
Rot. Bonds2

About (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile

(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile (PubChem CID 69314072) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile
PubChem CID69314072
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile
SMILESN#C[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C9H10N2O/c10-6-8(11)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5,11H2/t8-/m0/s1
InChIKeyVRAUBEZVWJCOIH-QMMMGPOBSA-N
XLogP0.79
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267
2-amino-3-(4-fluorophenyl)propanenitrile
CID 45090820
2-amino-3-(4-hydroxy-3-methylphenyl)propanenitrile;ethane
CID 142227423
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
CID 68774707
2-amino-N,N-bis(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 76892169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile (CID 69314072) is (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile is N#C[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile?
The InChIKey is VRAUBEZVWJCOIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O/c10-6-8(11)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5,11H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile?
(2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile has a molecular weight of 162.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanenitrile is sourced from PubChem (CID 69314072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).