(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid

C10H7F4N5O3S — CID 124669092

IUPAC(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NN[C@@H](CS)C(=O)O)c(F)c1F
InChIInChI=1S/C10H7F4N5O3S/c11-4-3(9(20)18-16-2(1-23)10(21)22)5(12)7(14)8(6(4)13)17-19-15/h2,16,23H,1H2,(H,18,20)(H,21,22)/t2-/m0/s1
InChIKeyHZHKDFLNEMOXNF-REOHCLBHSA-N
MW353.26 g/mol
LogP1.80
Rot. Bonds6

About (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid

(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid (PubChem CID 124669092) has the molecular formula C10H7F4N5O3S and a molecular weight of 353.26 g/mol. Its IUPAC name is (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid
PubChem CID124669092
Molecular FormulaC10H7F4N5O3S
Molecular Weight353.26 g/mol
Exact Mass353.02
IUPAC Name(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NN[C@@H](CS)C(=O)O)c(F)c1F
InChIInChI=1S/C10H7F4N5O3S/c11-4-3(9(20)18-16-2(1-23)10(21)22)5(12)7(14)8(6(4)13)17-19-15/h2,16,23H,1H2,(H,18,20)(H,21,22)/t2-/m0/s1
InChIKeyHZHKDFLNEMOXNF-REOHCLBHSA-N
XLogP1.80
TPSA127.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic 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 (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid (CID 124669092) is (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid is [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NN[C@@H](CS)C(=O)O)c(F)c1F.
What is the InChIKey of (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid?
The InChIKey is HZHKDFLNEMOXNF-REOHCLBHSA-N. The full InChI is InChI=1S/C10H7F4N5O3S/c11-4-3(9(20)18-16-2(1-23)10(21)22)5(12)7(14)8(6(4)13)17-19-15/h2,16,23H,1H2,(H,18,20)(H,21,22)/t2-/m0/s1.
What are the key properties of (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid?
(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid has a molecular weight of 353.26 g/mol, XLogP of 1.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid is sourced from PubChem (CID 124669092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).