2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid

C9H11N5O2 — CID 66189205

IUPAC2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
SMILES[N-]=[N+]=NCCNC(C(=O)O)c1cccnc1
InChIInChI=1S/C9H11N5O2/c10-14-13-5-4-12-8(9(15)16)7-2-1-3-11-6-7/h1-3,6,8,12H,4-5H2,(H,15,16)
InChIKeyIFBLUPBPVHLDCD-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.11
Rot. Bonds6

About 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid

2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid (PubChem CID 66189205) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
PubChem CID66189205
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid
SMILES[N-]=[N+]=NCCNC(C(=O)O)c1cccnc1
InChIInChI=1S/C9H11N5O2/c10-14-13-5-4-12-8(9(15)16)7-2-1-3-11-6-7/h1-3,6,8,12H,4-5H2,(H,15,16)
InChIKeyIFBLUPBPVHLDCD-UHFFFAOYSA-N
XLogP1.11
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
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-pyridin-3-ylacetic acid 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

2-(2-azidoethylamino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822618
2-(2-azidoethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189404
2-(2-azidoethylamino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81144933
2-(2-azidoethylamino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81436762
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
2-(2-azidoethylamino)-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 66188630
2-(2-azidoethylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843792
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid (CID 66189205) is 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid is [N-]=[N+]=NCCNC(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid?
The InChIKey is IFBLUPBPVHLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-14-13-5-4-12-8(9(15)16)7-2-1-3-11-6-7/h1-3,6,8,12H,4-5H2,(H,15,16).
What are the key properties of 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid?
2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid has a molecular weight of 221.22 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 66189205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).