(2S)-2-hydrazinyl-3-phenylpropanoic acid

C9H12N2O2 — CID 11789809

IUPAC(2S)-2-hydrazinyl-3-phenylpropanoic acid
SMILESNN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyKHZVLGLEHBZEPO-QMMMGPOBSA-N
MW180.21 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-hydrazinyl-3-phenylpropanoic acid

(2S)-2-hydrazinyl-3-phenylpropanoic acid (PubChem CID 11789809) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-3-phenylpropanoic acid
PubChem CID11789809
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2S)-2-hydrazinyl-3-phenylpropanoic acid
SMILESNN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
InChIKeyKHZVLGLEHBZEPO-QMMMGPOBSA-N
XLogP0.15
TPSA75.35 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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-hydrazinyl-3-phenylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-hydrazinyl-3-phenylpropanoic acid (CID 11789809) is (2S)-2-hydrazinyl-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-hydrazinyl-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-hydrazinyl-3-phenylpropanoic acid is NN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-hydrazinyl-3-phenylpropanoic acid?
The InChIKey is KHZVLGLEHBZEPO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-3-phenylpropanoic acid?
(2S)-2-hydrazinyl-3-phenylpropanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-3-phenylpropanoic acid is sourced from PubChem (CID 11789809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).