2-(2-phenylhydrazinyl)propanoic acid

C9H12N2O2 — CID 77247806

IUPAC2-(2-phenylhydrazinyl)propanoic acid
SMILESCC(NNc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-7,10-11H,1H3,(H,12,13)
InChIKeyDASDMLWUOGHUJA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-phenylhydrazinyl)propanoic acid

2-(2-phenylhydrazinyl)propanoic acid (PubChem CID 77247806) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-phenylhydrazinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-phenylhydrazinyl)propanoic acid
PubChem CID77247806
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-phenylhydrazinyl)propanoic acid
SMILESCC(NNc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-7,10-11H,1H3,(H,12,13)
InChIKeyDASDMLWUOGHUJA-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-phenylhydrazinyl)propanoic 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

2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
CID 70585968
(2S)-2-anilinopropanoic acid;oxolane
CID 158034208
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
3-(2-phenylhydrazinyl)butanal
CID 88651914
(2S)-2-amino-3-methylbutanoic acid;phenylhydrazine
CID 70169116
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylhydrazinyl)propanoic acid?
The IUPAC name of 2-(2-phenylhydrazinyl)propanoic acid (CID 77247806) is 2-(2-phenylhydrazinyl)propanoic acid.
What is the SMILES notation for 2-(2-phenylhydrazinyl)propanoic acid?
The canonical SMILES for 2-(2-phenylhydrazinyl)propanoic acid is CC(NNc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylhydrazinyl)propanoic acid?
The InChIKey is DASDMLWUOGHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-7,10-11H,1H3,(H,12,13).
What are the key properties of 2-(2-phenylhydrazinyl)propanoic acid?
2-(2-phenylhydrazinyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylhydrazinyl)propanoic acid is sourced from PubChem (CID 77247806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).