3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride

C9H11ClN2O3 — CID 174791706

IUPAC3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CC(=O)NNc1ccccc1
InChIInChI=1S/C9H10N2O3.ClH/c12-8(6-9(13)14)11-10-7-4-2-1-3-5-7;/h1-5,10H,6H2,(H,11,12)(H,13,14);1H
InChIKeyKTQDLKANYWYRNF-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.03
Rot. Bonds4

About 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride

3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride (PubChem CID 174791706) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
PubChem CID174791706
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CC(=O)NNc1ccccc1
InChIInChI=1S/C9H10N2O3.ClH/c12-8(6-9(13)14)11-10-7-4-2-1-3-5-7;/h1-5,10H,6H2,(H,11,12)(H,13,14);1H
InChIKeyKTQDLKANYWYRNF-UHFFFAOYSA-N
XLogP1.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
2-fluoro-N'-phenylacetohydrazide
CID 16862
2-(2-hydroxyphenyl)-N'-phenylacetohydrazide
CID 23052266
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
3-[2-(4-cyanophenyl)hydrazinyl]-3-oxopropanoic acid
CID 69448278
N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
CID 5122748
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
N-anilinocarbamoyl chloride
CID 57449233
1-anilino-3-sulfanylideneurea
CID 54549262
2-(4-phenoxyphenoxy)-N'-phenylacetohydrazide
CID 78835711
1-anilino-3-hydroxyurea
CID 2763972
3-oxo-3-[2-[4-(phenylcarbamoylamino)phenyl]hydrazinyl]-N-pyridin-4-ylpropanamide
CID 22887386

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride?
The IUPAC name of 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride (CID 174791706) is 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride is Cl.O=C(O)CC(=O)NNc1ccccc1.
What is the InChIKey of 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride?
The InChIKey is KTQDLKANYWYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.ClH/c12-8(6-9(13)14)11-10-7-4-2-1-3-5-7;/h1-5,10H,6H2,(H,11,12)(H,13,14);1H.
What are the key properties of 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride?
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride has a molecular weight of 230.65 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride is sourced from PubChem (CID 174791706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).