(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid

C10H10N2O3 — CID 141150273

IUPAC(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid
SMILESNN[C@H](C(=O)O)C(=C=O)c1ccccc1
InChIInChI=1S/C10H10N2O3/c11-12-9(10(14)15)8(6-13)7-4-2-1-3-5-7/h1-5,9,12H,11H2,(H,14,15)/t9-/m0/s1
InChIKeyFXJPYKNJPPKSMU-VIFPVBQESA-N
MW206.20 g/mol
LogP-0.18
Rot. Bonds4

About (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid

(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid (PubChem CID 141150273) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid
PubChem CID141150273
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid
SMILESNN[C@H](C(=O)O)C(=C=O)c1ccccc1
InChIInChI=1S/C10H10N2O3/c11-12-9(10(14)15)8(6-13)7-4-2-1-3-5-7/h1-5,9,12H,11H2,(H,14,15)/t9-/m0/s1
InChIKeyFXJPYKNJPPKSMU-VIFPVBQESA-N
XLogP-0.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid?
The IUPAC name of (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid (CID 141150273) is (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid.
What is the SMILES notation for (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid?
The canonical SMILES for (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid is NN[C@H](C(=O)O)C(=C=O)c1ccccc1.
What is the InChIKey of (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid?
The InChIKey is FXJPYKNJPPKSMU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O3/c11-12-9(10(14)15)8(6-13)7-4-2-1-3-5-7/h1-5,9,12H,11H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid?
(2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid has a molecular weight of 206.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-4-oxo-3-phenylbut-3-enoic acid is sourced from PubChem (CID 141150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).