5-(2-aminoacetyl)-2-hydroxybenzonitrile

C9H8N2O2 — CID 84767083

IUPAC5-(2-aminoacetyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C(=O)CN)ccc1O
InChIInChI=1S/C9H8N2O2/c10-4-7-3-6(9(13)5-11)1-2-8(7)12/h1-3,12H,5,11H2
InChIKeyGNZQOUPNSZGHQI-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.41
Rot. Bonds2

About 5-(2-aminoacetyl)-2-hydroxybenzonitrile

5-(2-aminoacetyl)-2-hydroxybenzonitrile (PubChem CID 84767083) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(2-aminoacetyl)-2-hydroxybenzonitrile
PubChem CID84767083
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-(2-aminoacetyl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(C(=O)CN)ccc1O
InChIInChI=1S/C9H8N2O2/c10-4-7-3-6(9(13)5-11)1-2-8(7)12/h1-3,12H,5,11H2
InChIKeyGNZQOUPNSZGHQI-UHFFFAOYSA-N
XLogP0.41
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoacetyl)-2-hydroxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-4-hydroxybenzohydrazide;2,2,2-trifluoroacetic acid
CID 162327714
5-(2-aminoacetyl)-2,3-dimethylbenzonitrile
CID 117281105
5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
CID 117294522
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
CID 131675810
methyl 3-cyano-4-hydroxybenzoate;methyl 3-cyano-4-methoxybenzoate
CID 67553335
N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
CID 159632042
2-amino-5-(3-bromopropanoyl)benzonitrile
CID 118802019
2-chloro-5-(2-hydroxyacetyl)benzonitrile
CID 18783104
2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid
CID 23458867
3-(3-cyano-4-hydroxyphenyl)benzamide
CID 53219963
5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
CID 84771517
3-(3-cyanoprop-1-ynyl)-4-hydroxybenzoic acid
CID 170475142

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(2-aminoacetyl)-2-hydroxybenzonitrile (CID 84767083) is 5-(2-aminoacetyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(2-aminoacetyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(2-aminoacetyl)-2-hydroxybenzonitrile is N#Cc1cc(C(=O)CN)ccc1O.
What is the InChIKey of 5-(2-aminoacetyl)-2-hydroxybenzonitrile?
The InChIKey is GNZQOUPNSZGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-4-7-3-6(9(13)5-11)1-2-8(7)12/h1-3,12H,5,11H2.
What are the key properties of 5-(2-aminoacetyl)-2-hydroxybenzonitrile?
5-(2-aminoacetyl)-2-hydroxybenzonitrile has a molecular weight of 176.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 84767083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).