(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid

C10H11F2N3O4 — CID 153337052

IUPAC(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid
SMILESNN/C(Oc1ccc(OC(F)F)cc1)=C(\N)C(=O)O
InChIInChI=1S/C10H11F2N3O4/c11-10(12)19-6-3-1-5(2-4-6)18-8(15-14)7(13)9(16)17/h1-4,10,15H,13-14H2,(H,16,17)/b8-7+
InChIKeyRRUZPFNGDMOCKC-BQYQJAHWSA-N
MW275.21 g/mol
LogP0.34
Rot. Bonds6

About (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid

(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid (PubChem CID 153337052) has the molecular formula C10H11F2N3O4 and a molecular weight of 275.21 g/mol. Its IUPAC name is (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid
PubChem CID153337052
Molecular FormulaC10H11F2N3O4
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid
SMILESNN/C(Oc1ccc(OC(F)F)cc1)=C(\N)C(=O)O
InChIInChI=1S/C10H11F2N3O4/c11-10(12)19-6-3-1-5(2-4-6)18-8(15-14)7(13)9(16)17/h1-4,10,15H,13-14H2,(H,16,17)/b8-7+
InChIKeyRRUZPFNGDMOCKC-BQYQJAHWSA-N
XLogP0.34
TPSA119.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid?
The IUPAC name of (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid (CID 153337052) is (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid.
What is the SMILES notation for (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid?
The canonical SMILES for (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid is NN/C(Oc1ccc(OC(F)F)cc1)=C(\N)C(=O)O.
What is the InChIKey of (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid?
The InChIKey is RRUZPFNGDMOCKC-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11F2N3O4/c11-10(12)19-6-3-1-5(2-4-6)18-8(15-14)7(13)9(16)17/h1-4,10,15H,13-14H2,(H,16,17)/b8-7+.
What are the key properties of (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid?
(E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid has a molecular weight of 275.21 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-[4-(difluoromethoxy)phenoxy]-3-hydrazinylprop-2-enoic acid is sourced from PubChem (CID 153337052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).