(4-methoxyphenyl) 2-azidoacetate

C9H9N3O3 — CID 154028305

IUPAC(4-methoxyphenyl) 2-azidoacetate
SMILESCOc1ccc(OC(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O3/c1-14-7-2-4-8(5-3-7)15-9(13)6-11-12-10/h2-5H,6H2,1H3
InChIKeyCBCXKHGBUBDDQO-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.91
Rot. Bonds4

About (4-methoxyphenyl) 2-azidoacetate

(4-methoxyphenyl) 2-azidoacetate (PubChem CID 154028305) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-azidoacetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-azidoacetate
PubChem CID154028305
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(4-methoxyphenyl) 2-azidoacetate
SMILESCOc1ccc(OC(=O)CN=[N+]=[N-])cc1
InChIInChI=1S/C9H9N3O3/c1-14-7-2-4-8(5-3-7)15-9(13)6-11-12-10/h2-5H,6H2,1H3
InChIKeyCBCXKHGBUBDDQO-UHFFFAOYSA-N
XLogP1.91
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4-methoxyphenyl) 2-azidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-methoxyphenyl) propanedioate
CID 12000137
2-azido-1-(4-methoxy-2-methylphenyl)ethanone
CID 98883097
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
bis(4-methoxyphenyl) octanedioate
CID 89115465
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
CID 88814204
CID 88814204
3-azidopropyl 4-methoxybenzoate
CID 11447680
(2,3,5,6-tetrafluorophenyl) 2-azidoacetate
CID 155414947
1-(2-azidoethylsulfonyl)-4-methoxybenzene
CID 61396962
(4-methoxyphenyl) 4-methylpentanoate
CID 78780467
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
CID 10539088

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 2-azidoacetate?
The IUPAC name of (4-methoxyphenyl) 2-azidoacetate (CID 154028305) is (4-methoxyphenyl) 2-azidoacetate.
What is the SMILES notation for (4-methoxyphenyl) 2-azidoacetate?
The canonical SMILES for (4-methoxyphenyl) 2-azidoacetate is COc1ccc(OC(=O)CN=[N+]=[N-])cc1.
What is the InChIKey of (4-methoxyphenyl) 2-azidoacetate?
The InChIKey is CBCXKHGBUBDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-14-7-2-4-8(5-3-7)15-9(13)6-11-12-10/h2-5H,6H2,1H3.
What are the key properties of (4-methoxyphenyl) 2-azidoacetate?
(4-methoxyphenyl) 2-azidoacetate has a molecular weight of 207.19 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-azidoacetate is sourced from PubChem (CID 154028305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).