2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid

C11H12N2O3 — CID 23458867

IUPAC2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(O)c(C#N)c1)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(13,10(15)16)5-7-2-3-9(14)8(4-7)6-12/h2-4,14H,5,13H2,1H3,(H,15,16)
InChIKeyOBUFGCIQBPMOTG-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid

2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 23458867) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID23458867
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1ccc(O)c(C#N)c1)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-11(13,10(15)16)5-7-2-3-9(14)8(4-7)6-12/h2-4,14H,5,13H2,1H3,(H,15,16)
InChIKeyOBUFGCIQBPMOTG-UHFFFAOYSA-N
XLogP0.61
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid 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

(2S)-2-amino-3-(3-borono-4-hydroxyphenyl)-2-methylpropanoic acid
CID 170692621
2-amino-3-(4-hydroxy-3-(123I)iodophenyl)-2-methylpropanoic acid
CID 131886176
5-[(2S)-2-amino-2-carboxypropyl]-2-hydroxybenzoic acid;dihydrate;hydrochloride
CID 70604204
[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
CID 155761208
2-amino-3-(3-(18F)fluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 176816292
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
(2R)-2-amino-3-(3,4-diaminophenyl)-2-methylpropanoic acid
CID 70564391
2-amino-3-(3-hydroxyphenyl)-2-methylpropanoic acid;hydrate
CID 2729001
methyl (2S)-2-amino-3-(3-cyano-4-hydroxyphenyl)propanoate
CID 171238526
(3R)-3-amino-4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 163965767
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid (CID 23458867) is 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid is CC(N)(Cc1ccc(O)c(C#N)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is OBUFGCIQBPMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(13,10(15)16)5-7-2-3-9(14)8(4-7)6-12/h2-4,14H,5,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid?
2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-cyano-4-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 23458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).