(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid

C15H15N3O3 — CID 139448993

IUPAC(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid
SMILESNN/C(Oc1cccc(-c2ccccc2)c1)=C(\N)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-13(15(19)20)14(18-17)21-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,18H,16-17H2,(H,19,20)/b14-13+
InChIKeyMZHANGUGNGABJE-BUHFOSPRSA-N
MW285.30 g/mol
LogP1.41
Rot. Bonds5

About (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid

(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid (PubChem CID 139448993) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid
PubChem CID139448993
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid
SMILESNN/C(Oc1cccc(-c2ccccc2)c1)=C(\N)C(=O)O
InChIInChI=1S/C15H15N3O3/c16-13(15(19)20)14(18-17)21-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,18H,16-17H2,(H,19,20)/b14-13+
InChIKeyMZHANGUGNGABJE-BUHFOSPRSA-N
XLogP1.41
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid?
The IUPAC name of (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid (CID 139448993) is (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid is NN/C(Oc1cccc(-c2ccccc2)c1)=C(\N)C(=O)O.
What is the InChIKey of (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid?
The InChIKey is MZHANGUGNGABJE-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-13(15(19)20)14(18-17)21-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,18H,16-17H2,(H,19,20)/b14-13+.
What are the key properties of (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid?
(E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-hydrazinyl-3-(3-phenylphenoxy)prop-2-enoic acid is sourced from PubChem (CID 139448993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).