2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid

C10H12N4O3 — CID 66189404

IUPAC2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
SMILES[N-]=[N+]=NCCNC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H12N4O3/c11-14-13-6-5-12-9(10(16)17)7-1-3-8(15)4-2-7/h1-4,9,12,15H,5-6H2,(H,16,17)
InChIKeyONZDQKBSSCEQOJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.42
Rot. Bonds6

About 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid

2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid (PubChem CID 66189404) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
PubChem CID66189404
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
SMILES[N-]=[N+]=NCCNC(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H12N4O3/c11-14-13-6-5-12-9(10(16)17)7-1-3-8(15)4-2-7/h1-4,9,12,15H,5-6H2,(H,16,17)
InChIKeyONZDQKBSSCEQOJ-UHFFFAOYSA-N
XLogP1.42
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic 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 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid (CID 66189404) is 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid is [N-]=[N+]=NCCNC(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is ONZDQKBSSCEQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-14-13-6-5-12-9(10(16)17)7-1-3-8(15)4-2-7/h1-4,9,12,15H,5-6H2,(H,16,17).
What are the key properties of 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid?
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 66189404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).