2-(2-amino-5-cyanophenyl)propanoic acid

C10H10N2O2 — CID 130135497

IUPAC2-(2-amino-5-cyanophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(C#N)ccc1N
InChIInChI=1S/C10H10N2O2/c1-6(10(13)14)8-4-7(5-11)2-3-9(8)12/h2-4,6H,12H2,1H3,(H,13,14)
InChIKeyPPYIWJWLIUYTRB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.33
Rot. Bonds2

About 2-(2-amino-5-cyanophenyl)propanoic acid

2-(2-amino-5-cyanophenyl)propanoic acid (PubChem CID 130135497) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(2-amino-5-cyanophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-cyanophenyl)propanoic acid
PubChem CID130135497
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(2-amino-5-cyanophenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(C#N)ccc1N
InChIInChI=1S/C10H10N2O2/c1-6(10(13)14)8-4-7(5-11)2-3-9(8)12/h2-4,6H,12H2,1H3,(H,13,14)
InChIKeyPPYIWJWLIUYTRB-UHFFFAOYSA-N
XLogP1.33
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
2-(5-cyano-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117315216
4-amino-3-[(1R)-1,2-diaminoethyl]benzonitrile
CID 66516129
4-amino-3-[(1S)-1-amino-3-hydroxypropyl]benzonitrile
CID 130699567
2-[(1R)-1-aminoethyl]-5-cyanobenzoic acid
CID 131081776
(4-cyano-2-propan-2-ylphenyl)boronic acid
CID 156667086
3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
CID 121233508
acetic acid;4-amino-3-fluorobenzonitrile;sulfuric acid
CID 175589874
4-amino-3-methylbenzonitrile
CID 7010316
4-amino-3-iodobenzonitrile;hydroiodide
CID 161496000
2-(2-cyano-4-fluorophenyl)propanoic acid
CID 130135521
4-amino-3-(propan-2-ylamino)benzonitrile
CID 104711363

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyanophenyl)propanoic acid?
The IUPAC name of 2-(2-amino-5-cyanophenyl)propanoic acid (CID 130135497) is 2-(2-amino-5-cyanophenyl)propanoic acid.
What is the SMILES notation for 2-(2-amino-5-cyanophenyl)propanoic acid?
The canonical SMILES for 2-(2-amino-5-cyanophenyl)propanoic acid is CC(C(=O)O)c1cc(C#N)ccc1N.
What is the InChIKey of 2-(2-amino-5-cyanophenyl)propanoic acid?
The InChIKey is PPYIWJWLIUYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(10(13)14)8-4-7(5-11)2-3-9(8)12/h2-4,6H,12H2,1H3,(H,13,14).
What are the key properties of 2-(2-amino-5-cyanophenyl)propanoic acid?
2-(2-amino-5-cyanophenyl)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-cyanophenyl)propanoic acid is sourced from PubChem (CID 130135497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).